N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid

C58H81N17O12 — CID 158528325

IUPACN-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid
SMILESCCC(=O)NCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccccc3o1)n2C.CN(C)CC(=O)NCCN.CN(C)CC(=O)NCCNC(=O)OC(C)(C)C.CN(C)CC(=O)O.Cn1c(Nc2nc3ccccc3o2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C21H22N6O3.C16H12N4O3.C11H23N3O3.C6H15N3O.C4H9NO2/c1-3-18(28)22-10-11-23-19(29)13-8-9-16-15(12-13)24-20(27(16)2)26-21-25-14-6-4-5-7-17(14)30-21;1-20-12-7-6-9(14(21)22)8-11(12)17-15(20)19-16-18-10-4-2-3-5-13(10)23-16;1-11(2,3)17-10(16)13-7-6-12-9(15)8-14(4)5;1-9(2)5-6(10)8-4-3-7;1-5(2)3-4(6)7/h4-9,12H,3,10-11H2,1-2H3,(H,22,28)(H,23,29)(H,24,25,26);2-8H,1H3,(H,21,22)(H,17,18,19);6-8H2,1-5H3,(H,12,15)(H,13,16);3-5,7H2,1-2H3,(H,8,10);3H2,1-2H3,(H,6,7)
InChIKeyHNBCXHPRSNRMPM-UHFFFAOYSA-N
MW1208.39 g/mol
LogP4.31
Rot. Bonds21

About N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid

N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid (PubChem CID 158528325) has the molecular formula C58H81N17O12 and a molecular weight of 1208.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid
PubChem CID158528325
Molecular FormulaC58H81N17O12
Molecular Weight1208.39 g/mol
Exact Mass1207.63
IUPAC NameN-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid
SMILESCCC(=O)NCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccccc3o1)n2C.CN(C)CC(=O)NCCN.CN(C)CC(=O)NCCNC(=O)OC(C)(C)C.CN(C)CC(=O)O.Cn1c(Nc2nc3ccccc3o2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C21H22N6O3.C16H12N4O3.C11H23N3O3.C6H15N3O.C4H9NO2/c1-3-18(28)22-10-11-23-19(29)13-8-9-16-15(12-13)24-20(27(16)2)26-21-25-14-6-4-5-7-17(14)30-21;1-20-12-7-6-9(14(21)22)8-11(12)17-15(20)19-16-18-10-4-2-3-5-13(10)23-16;1-11(2,3)17-10(16)13-7-6-12-9(15)8-14(4)5;1-9(2)5-6(10)8-4-3-7;1-5(2)3-4(6)7/h4-9,12H,3,10-11H2,1-2H3,(H,22,28)(H,23,29)(H,24,25,26);2-8H,1H3,(H,21,22)(H,17,18,19);6-8H2,1-5H3,(H,12,15)(H,13,16);3-5,7H2,1-2H3,(H,8,10);3H2,1-2H3,(H,6,7)
InChIKeyHNBCXHPRSNRMPM-UHFFFAOYSA-N
XLogP4.31
TPSA376.83 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001208.39
LogP ≤ 54.31
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid with MolForge

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Related Compounds

2-[2-[[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carbonyl]amino]ethoxy]ethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 155093886
2-(1,3-benzoxazol-2-ylamino)-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 155083774
2-(1,3-benzoxazol-2-ylamino)-N-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 155083668
N-[4-[2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazol-5-yl]-4-oxobutyl]propanamide
CID 162033380
2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide
CID 155083808
2-[(6-acetyl-1,3-benzoxazol-2-yl)amino]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-methylbenzimidazole-5-carboxamide
CID 155607715
N-(2-methoxyethyl)-1-methyl-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)benzimidazole-5-carboxamide
CID 155083567
ethyl 2-[2-[[1-methyl-2-[[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carbonyl]amino]ethoxy]acetate
CID 155083820
2-[[6-(difluoromethoxy)-1,3-benzoxazol-2-yl]amino]-N-(2-methoxyethyl)-1-methylbenzimidazole-5-carboxamide
CID 155083824
1-methyl-N-(2-methylsulfonylethyl)-2-[[6-(trifluoromethoxy)-1,3-benzoxazol-2-yl]amino]benzimidazole-5-carboxamide
CID 155083834
ethyl 2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
CID 155083767
ethyl 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]-1-methylbenzimidazole-5-carboxylate
CID 155083762

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid?
The IUPAC name of N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid (CID 158528325) is N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid.
What is the SMILES notation for N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid?
The canonical SMILES for N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid is CCC(=O)NCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccccc3o1)n2C.CN(C)CC(=O)NCCN.CN(C)CC(=O)NCCNC(=O)OC(C)(C)C.CN(C)CC(=O)O.Cn1c(Nc2nc3ccccc3o2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid?
The InChIKey is HNBCXHPRSNRMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3.C16H12N4O3.C11H23N3O3.C6H15N3O.C4H9NO2/c1-3-18(28)22-10-11-23-19(29)13-8-9-16-15(12-13)24-20(27(16)2)26-21-25-14-6-4-5-7-17(14)30-21;1-20-12-7-6-9(14(21)22)8-11(12)17-15(20)19-16-18-10-4-2-3-5-13(10)23-16;1-11(2,3)17-10(16)13-7-6-12-9(15)8-14(4)5;1-9(2)5-6(10)8-4-3-7;1-5(2)3-4(6)7/h4-9,12H,3,10-11H2,1-2H3,(H,22,28)(H,23,29)(H,24,25,26);2-8H,1H3,(H,21,22)(H,17,18,19);6-8H2,1-5H3,(H,12,15)(H,13,16);3-5,7H2,1-2H3,(H,8,10);3H2,1-2H3,(H,6,7).
What are the key properties of N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid?
N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid has a molecular weight of 1208.39 g/mol, XLogP of 4.31, 21 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(dimethylamino)acetamide;2-(1,3-benzoxazol-2-ylamino)-1-methylbenzimidazole-5-carboxylic acid;2-(1,3-benzoxazol-2-ylamino)-1-methyl-N-[2-(propanoylamino)ethyl]benzimidazole-5-carboxamide;tert-butyl N-[2-[[2-(dimethylamino)acetyl]amino]ethyl]carbamate;2-(dimethylamino)acetic acid is sourced from PubChem (CID 158528325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).