4-[4-(butylcarbamoylamino)phenyl]butanoic acid

C15H22N2O3 — CID 68943734

IUPAC4-[4-(butylcarbamoylamino)phenyl]butanoic acid
SMILESCCCCNC(=O)Nc1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-2-3-11-16-15(20)17-13-9-7-12(8-10-13)5-4-6-14(18)19/h7-10H,2-6,11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOQRIOQGPDKTHQQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.02
Rot. Bonds8

About 4-[4-(butylcarbamoylamino)phenyl]butanoic acid

4-[4-(butylcarbamoylamino)phenyl]butanoic acid (PubChem CID 68943734) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[4-(butylcarbamoylamino)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(butylcarbamoylamino)phenyl]butanoic acid
PubChem CID68943734
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[4-(butylcarbamoylamino)phenyl]butanoic acid
SMILESCCCCNC(=O)Nc1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-2-3-11-16-15(20)17-13-9-7-12(8-10-13)5-4-6-14(18)19/h7-10H,2-6,11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOQRIOQGPDKTHQQ-UHFFFAOYSA-N
XLogP3.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(butylcarbamoylamino)phenyl]propanamide
CID 91054834
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525
1-(4-heptylphenyl)-3-propylurea
CID 142021842
3-[4-[3-(methylamino)propylcarbamoylamino]phenyl]propanoic acid
CID 115340770
3-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 28510852
1-(2-chloroethyl)-3-(4-decylphenyl)urea
CID 10382534
1-(2-bromoethyl)-3-(4-heptylphenyl)urea
CID 86013146
4-[(4-butylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 80537856
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]butanoic acid
CID 122077972
1-(4-aminophenyl)-3-butylurea
CID 28785616
[4-[[4-(pentylcarbamoylamino)phenyl]methyl]phenyl]carbamic acid
CID 69144351
4-[(4-acetylphenyl)carbamoylamino]butanoic acid
CID 28511845

Frequently Asked Questions

What is the IUPAC name of 4-[4-(butylcarbamoylamino)phenyl]butanoic acid?
The IUPAC name of 4-[4-(butylcarbamoylamino)phenyl]butanoic acid (CID 68943734) is 4-[4-(butylcarbamoylamino)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(butylcarbamoylamino)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(butylcarbamoylamino)phenyl]butanoic acid is CCCCNC(=O)Nc1ccc(CCCC(=O)O)cc1.
What is the InChIKey of 4-[4-(butylcarbamoylamino)phenyl]butanoic acid?
The InChIKey is OQRIOQGPDKTHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-3-11-16-15(20)17-13-9-7-12(8-10-13)5-4-6-14(18)19/h7-10H,2-6,11H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[4-(butylcarbamoylamino)phenyl]butanoic acid?
4-[4-(butylcarbamoylamino)phenyl]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(butylcarbamoylamino)phenyl]butanoic acid is sourced from PubChem (CID 68943734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).