4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid

C16H22N2O4 — CID 119177704

IUPAC4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid
SMILESCCN(CC)C(=O)CCCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H22N2O4/c1-3-18(4-2)15(20)7-5-6-14(19)17-13-10-8-12(9-11-13)16(21)22/h8-11H,3-7H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyVSUWFURJBDKVFZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.36
Rot. Bonds8

About 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid

4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid (PubChem CID 119177704) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid
PubChem CID119177704
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid
SMILESCCN(CC)C(=O)CCCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H22N2O4/c1-3-18(4-2)15(20)7-5-6-14(19)17-13-10-8-12(9-11-13)16(21)22/h8-11H,3-7H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyVSUWFURJBDKVFZ-UHFFFAOYSA-N
XLogP2.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid
CID 119177773
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
N-[4-(3,5-dioxohexyl)phenyl]-N',N'-diethylpentanediamide
CID 171556867
4-(6-fluorohexanoylamino)benzoic acid
CID 101304564
4-[4-(diethylamino)-4-oxobutyl]sulfanylbenzoic acid
CID 43169843
4-(16-methylheptadecanoylamino)benzoic acid
CID 139715383
N-(6-amino-3-pyridinyl)-N',N'-diethylpentanediamide;hydrochloride
CID 119515259
4-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]benzoic acid
CID 172541501
N',N'-diethyl-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanediamide
CID 56520484
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]-5-methoxypentanamide
CID 86871795
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid?
The IUPAC name of 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid (CID 119177704) is 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid?
The canonical SMILES for 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid is CCN(CC)C(=O)CCCC(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid?
The InChIKey is VSUWFURJBDKVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-18(4-2)15(20)7-5-6-14(19)17-13-10-8-12(9-11-13)16(21)22/h8-11H,3-7H2,1-2H3,(H,17,19)(H,21,22).
What are the key properties of 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid?
4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid has a molecular weight of 306.36 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid is sourced from PubChem (CID 119177704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).