3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid

C19H21N3O5 — CID 131948960

IUPAC3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)Nc2cccc(NC(=O)CN(C)C)c2)c1
InChIInChI=1S/C19H21N3O5/c1-22(2)11-17(23)20-14-5-4-6-15(10-14)21-18(24)12-7-13(19(25)26)9-16(8-12)27-3/h4-10H,11H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)
InChIKeyIRMYELOPKIMWPT-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.15
Rot. Bonds7

About 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid

3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid (PubChem CID 131948960) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid
PubChem CID131948960
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)Nc2cccc(NC(=O)CN(C)C)c2)c1
InChIInChI=1S/C19H21N3O5/c1-22(2)11-17(23)20-14-5-4-6-15(10-14)21-18(24)12-7-13(19(25)26)9-16(8-12)27-3/h4-10H,11H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)
InChIKeyIRMYELOPKIMWPT-UHFFFAOYSA-N
XLogP2.15
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-cyanoacetyl)amino]phenyl]-3,5-dimethoxybenzamide
CID 108922675
methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate
CID 10761741
N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide
CID 169356675
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
4-tert-butyl-N-[3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46772125
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 69054016
3,5-dimethoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 38737983
3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide
CID 115375718

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid?
The IUPAC name of 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid (CID 131948960) is 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid.
What is the SMILES notation for 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid?
The canonical SMILES for 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(C(=O)Nc2cccc(NC(=O)CN(C)C)c2)c1.
What is the InChIKey of 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid?
The InChIKey is IRMYELOPKIMWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-22(2)11-17(23)20-14-5-4-6-15(10-14)21-18(24)12-7-13(19(25)26)9-16(8-12)27-3/h4-10H,11H2,1-3H3,(H,20,23)(H,21,24)(H,25,26).
What are the key properties of 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid?
3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid has a molecular weight of 371.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid is sourced from PubChem (CID 131948960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).