6-[(4-ethylphenyl)carbamoylamino]hexanoic acid

C15H22N2O3 — CID 61189525

IUPAC6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
SMILESCCc1ccc(NC(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-2-12-7-9-13(10-8-12)17-15(20)16-11-5-3-4-6-14(18)19/h7-10H,2-6,11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIPLZQXAKEZUDGZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.02
Rot. Bonds8

About 6-[(4-ethylphenyl)carbamoylamino]hexanoic acid

6-[(4-ethylphenyl)carbamoylamino]hexanoic acid (PubChem CID 61189525) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-[(4-ethylphenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
PubChem CID61189525
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
SMILESCCc1ccc(NC(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-2-12-7-9-13(10-8-12)17-15(20)16-11-5-3-4-6-14(18)19/h7-10H,2-6,11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIPLZQXAKEZUDGZ-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-ethylphenyl)carbamoylamino]propanoic acid
CID 28510852
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
4-[4-(butylcarbamoylamino)phenyl]butanoic acid
CID 68943734
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
6-[(4-cyanophenyl)carbamoylamino]hexanoic acid
CID 16788289
6-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]hexanoic acid
CID 108865498
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]butanoic acid
CID 122077972
3-[(4-ethylphenyl)carbamothioylamino]propanoic acid
CID 3008620
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylphenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 6-[(4-ethylphenyl)carbamoylamino]hexanoic acid (CID 61189525) is 6-[(4-ethylphenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(4-ethylphenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(4-ethylphenyl)carbamoylamino]hexanoic acid is CCc1ccc(NC(=O)NCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[(4-ethylphenyl)carbamoylamino]hexanoic acid?
The InChIKey is IPLZQXAKEZUDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-12-7-9-13(10-8-12)17-15(20)16-11-5-3-4-6-14(18)19/h7-10H,2-6,11H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 6-[(4-ethylphenyl)carbamoylamino]hexanoic acid?
6-[(4-ethylphenyl)carbamoylamino]hexanoic 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 6-[(4-ethylphenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 61189525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).