2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid

C14H18N2O4 — CID 60941467

IUPAC2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
SMILESCCCNC(=O)C(C)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-3-8-15-12(17)9(2)16-13(18)10-6-4-5-7-11(10)14(19)20/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGWMJLVULXHVCBN-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.03
Rot. Bonds6

About 2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid

2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid (PubChem CID 60941467) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
PubChem CID60941467
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
SMILESCCCNC(=O)C(C)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-3-8-15-12(17)9(2)16-13(18)10-6-4-5-7-11(10)14(19)20/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGWMJLVULXHVCBN-UHFFFAOYSA-N
XLogP1.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 39964497
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate
CID 51121045
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]benzoic acid
CID 60933200
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
2-[2-(2-ethylbutanoylamino)ethylcarbamoyl]benzoic acid
CID 113083346
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 9227685

Frequently Asked Questions

What is the IUPAC name of 2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid (CID 60941467) is 2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid is CCCNC(=O)C(C)NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid?
The InChIKey is GWMJLVULXHVCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-8-15-12(17)9(2)16-13(18)10-6-4-5-7-11(10)14(19)20/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid?
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 60941467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).