3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid

C15H22N2O4 — CID 62327824

IUPAC3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid
SMILESCCCOc1ccc(NC(=O)N(CC)CCC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-3-11-21-13-7-5-12(6-8-13)16-15(20)17(4-2)10-9-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLPWMBVMAHNDZGG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.80
Rot. Bonds8

About 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid

3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid (PubChem CID 62327824) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid
PubChem CID62327824
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid
SMILESCCCOc1ccc(NC(=O)N(CC)CCC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-3-11-21-13-7-5-12(6-8-13)16-15(20)17(4-2)10-9-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLPWMBVMAHNDZGG-UHFFFAOYSA-N
XLogP2.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic 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

2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid
CID 62329042
2-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820
4-oxo-4-[(4-propoxyphenyl)carbamoylamino]butanoic acid
CID 62329039
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
2-(4-propoxyanilino)acetic acid
CID 15310375
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
3-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]propanoic acid
CID 61194987
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
4-[[2-(4-bromophenoxy)ethyl-ethylcarbamoyl]amino]butanoic acid
CID 122023110
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid (CID 62327824) is 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid is CCCOc1ccc(NC(=O)N(CC)CCC(=O)O)cc1.
What is the InChIKey of 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid?
The InChIKey is LPWMBVMAHNDZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-11-21-13-7-5-12(6-8-13)16-15(20)17(4-2)10-9-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 62327824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).