4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid

C22H28N2O4 — CID 122028172

IUPAC4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
SMILESCc1ccc(CN(CCO)C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C22H28N2O4/c1-17-7-9-19(10-8-17)16-24(13-14-25)22(28)23-20(11-12-21(26)27)15-18-5-3-2-4-6-18/h2-10,20,25H,11-16H2,1H3,(H,23,28)(H,26,27)
InChIKeyWLVBMZRAUFHPKK-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.98
Rot. Bonds10

About 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid

4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122028172) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122028172
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
SMILESCc1ccc(CN(CCO)C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C22H28N2O4/c1-17-7-9-19(10-8-17)16-24(13-14-25)22(28)23-20(11-12-21(26)27)15-18-5-3-2-4-6-18/h2-10,20,25H,11-16H2,1H3,(H,23,28)(H,26,27)
InChIKeyWLVBMZRAUFHPKK-UHFFFAOYSA-N
XLogP2.98
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic 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

4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027679
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027367
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027362
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
4-[[(4-cyanophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027296
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
CID 120546662
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid (CID 122028172) is 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid is Cc1ccc(CN(CCO)C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is WLVBMZRAUFHPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-17-7-9-19(10-8-17)16-24(13-14-25)22(28)23-20(11-12-21(26)27)15-18-5-3-2-4-6-18/h2-10,20,25H,11-16H2,1H3,(H,23,28)(H,26,27).
What are the key properties of 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid?
4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 384.48 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).