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

C14H18N2O4 — CID 119177773

IUPAC4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid
SMILESCN(C)C(=O)CCCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-16(2)13(18)5-3-4-12(17)15-11-8-6-10(7-9-11)14(19)20/h6-9H,3-5H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyCPZDNTLDKBMEBC-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.58
Rot. Bonds6

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

4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid (PubChem CID 119177773) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid
PubChem CID119177773
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid
SMILESCN(C)C(=O)CCCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-16(2)13(18)5-3-4-12(17)15-11-8-6-10(7-9-11)14(19)20/h6-9H,3-5H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyCPZDNTLDKBMEBC-UHFFFAOYSA-N
XLogP1.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid
CID 119177704
4-[[5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]benzoic acid
CID 172541501
4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
CID 79200620
4-(6-fluorohexanoylamino)benzoic acid
CID 101304564
4-(16-methylheptadecanoylamino)benzoic acid
CID 139715383
4-[[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]methyl]benzoic acid
CID 119226099
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
5-[4-[(4-tert-butylbenzoyl)amino]anilino]-5-oxopentanoic acid
CID 17235034
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid?
The IUPAC name of 4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid (CID 119177773) is 4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid?
The canonical SMILES for 4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid is CN(C)C(=O)CCCC(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid?
The InChIKey is CPZDNTLDKBMEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(2)13(18)5-3-4-12(17)15-11-8-6-10(7-9-11)14(19)20/h6-9H,3-5H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid?
4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-5-oxopentanoyl]amino]benzoic acid is sourced from PubChem (CID 119177773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).