4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid

C15H20N2O4 — CID 120534770

IUPAC4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H20N2O4/c1-10(4-9-13(18)19)16-14(20)11-5-7-12(8-6-11)15(21)17(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyJNTFWBLZCBTQMA-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.37
Rot. Bonds6

About 4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid

4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid (PubChem CID 120534770) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
PubChem CID120534770
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H20N2O4/c1-10(4-9-13(18)19)16-14(20)11-5-7-12(8-6-11)15(21)17(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyJNTFWBLZCBTQMA-UHFFFAOYSA-N
XLogP1.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
CID 119350798
4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
CID 113397105
4-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonylamino)pentanoic acid
CID 120534820
N-butan-2-yl-4-[[[N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111873620
N,N-dimethyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43681981
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
(4R)-4-[(3-methylthiophene-2-carbonyl)amino]pentanoic acid
CID 95332881
3-[(4-iodobenzoyl)amino]butanoic acid
CID 43240598
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
3-[(4-tert-butylbenzoyl)amino]butanoic acid
CID 18370033
4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963307
4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid
CID 81323373

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid (CID 120534770) is 4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid?
The InChIKey is JNTFWBLZCBTQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(4-9-13(18)19)16-14(20)11-5-7-12(8-6-11)15(21)17(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid?
4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 120534770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).