3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid

C15H23N3O3 — CID 139900708

IUPAC3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid
SMILESCCN(CC)CCCNC(=O)c1cc(N)cc(C(=O)O)c1
InChIInChI=1S/C15H23N3O3/c1-3-18(4-2)7-5-6-17-14(19)11-8-12(15(20)21)10-13(16)9-11/h8-10H,3-7,16H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyPONYSBDGQCNEDA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.43
Rot. Bonds8

About 3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid

3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid (PubChem CID 139900708) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid
PubChem CID139900708
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid
SMILESCCN(CC)CCCNC(=O)c1cc(N)cc(C(=O)O)c1
InChIInChI=1S/C15H23N3O3/c1-3-18(4-2)7-5-6-17-14(19)11-8-12(15(20)21)10-13(16)9-11/h8-10H,3-7,16H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyPONYSBDGQCNEDA-UHFFFAOYSA-N
XLogP1.43
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
CID 104851807
2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3,5-diamino-N-propylbenzamide
CID 20701636
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
5-amino-3-N,3-N-dimethyl-1-N-pentylbenzene-1,3-dicarboxamide
CID 171662867
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
3,5-diamino-N-hexadecylbenzamide
CID 54469516
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
4-amino-2,3,5,6-tetradeuterio-N-[2-(diethylamino)ethyl]benzamide
CID 171391868

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid?
The IUPAC name of 3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid (CID 139900708) is 3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid.
What is the SMILES notation for 3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid?
The canonical SMILES for 3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid is CCN(CC)CCCNC(=O)c1cc(N)cc(C(=O)O)c1.
What is the InChIKey of 3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid?
The InChIKey is PONYSBDGQCNEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-18(4-2)7-5-6-17-14(19)11-8-12(15(20)21)10-13(16)9-11/h8-10H,3-7,16H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid?
3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid is sourced from PubChem (CID 139900708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).