3-[4-(diethylcarbamoylamino)phenyl]butanoic acid

C15H22N2O3 — CID 104501853

IUPAC3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
SMILESCCN(CC)C(=O)Nc1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-4-17(5-2)15(20)16-13-8-6-12(7-9-13)11(3)10-14(18)19/h6-9,11H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOJFIVNNEFHTUOV-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.14
Rot. Bonds6

About 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid

3-[4-(diethylcarbamoylamino)phenyl]butanoic acid (PubChem CID 104501853) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
PubChem CID104501853
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
SMILESCCN(CC)C(=O)Nc1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-4-17(5-2)15(20)16-13-8-6-12(7-9-13)11(3)10-14(18)19/h6-9,11H,4-5,10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyOJFIVNNEFHTUOV-UHFFFAOYSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[butan-2-yl(methyl)carbamoyl]amino]phenyl]butanoic acid
CID 104503290
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
3-[4-(2-ethylbutanoylamino)phenyl]butanoic acid
CID 104501817
3-[4-(diethylamino)phenyl]butanoic acid
CID 20697009
3-[4-(pentanoylamino)phenyl]butanoic acid
CID 113419992
(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119295830
3-[4-(propan-2-ylamino)phenyl]butanoic acid
CID 104503331
3-[4-[3-(ethylamino)butanoylamino]phenyl]butanoic acid
CID 104503048
3-[4-(2-acetamidopropanoylamino)phenyl]butanoic acid
CID 104501839
3-[4-[(2-amino-3-methylpentanoyl)amino]phenyl]butanoic acid
CID 104503054
3-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]butanoic acid
CID 104502997
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide
CID 87001428

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid?
The IUPAC name of 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid (CID 104501853) is 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid?
The canonical SMILES for 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid is CCN(CC)C(=O)Nc1ccc(C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid?
The InChIKey is OJFIVNNEFHTUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-17(5-2)15(20)16-13-8-6-12(7-9-13)11(3)10-14(18)19/h6-9,11H,4-5,10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid?
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylcarbamoylamino)phenyl]butanoic acid is sourced from PubChem (CID 104501853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).