2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide

C20H24N4O3 — CID 18135262

IUPAC2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C20H24N4O3/c1-3-14-8-4-6-10-16(14)22-18(25)12-24(2)13-19(26)23-17-11-7-5-9-15(17)20(21)27/h4-11H,3,12-13H2,1-2H3,(H2,21,27)(H,22,25)(H,23,26)
InChIKeyVJGSRCNIXDWKFE-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.86
Rot. Bonds8

About 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide

2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide (PubChem CID 18135262) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
PubChem CID18135262
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C20H24N4O3/c1-3-14-8-4-6-10-16(14)22-18(25)12-24(2)13-19(26)23-17-11-7-5-9-15(17)20(21)27/h4-11H,3,12-13H2,1-2H3,(H2,21,27)(H,22,25)(H,23,26)
InChIKeyVJGSRCNIXDWKFE-UHFFFAOYSA-N
XLogP1.86
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
CID 8789459
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9303583
N-cyclohexyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 17485054
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9304295

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide (CID 18135262) is 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide is CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The InChIKey is VJGSRCNIXDWKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-14-8-4-6-10-16(14)22-18(25)12-24(2)13-19(26)23-17-11-7-5-9-15(17)20(21)27/h4-11H,3,12-13H2,1-2H3,(H2,21,27)(H,22,25)(H,23,26).
What are the key properties of 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 18135262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).