2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid

C16H23NO4 — CID 119201999

IUPAC2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid
SMILESCCOCCCC(=O)NC(CC)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-16(15(19)20,13-9-6-5-7-10-13)17-14(18)11-8-12-21-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySDPAVAWPNZSAKJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.31
Rot. Bonds9

About 2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid

2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid (PubChem CID 119201999) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid
PubChem CID119201999
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid
SMILESCCOCCCC(=O)NC(CC)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-16(15(19)20,13-9-6-5-7-10-13)17-14(18)11-8-12-21-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySDPAVAWPNZSAKJ-UHFFFAOYSA-N
XLogP2.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(dimethylamino)-5-oxopentanoyl]amino]-2-phenylbutanoic acid
CID 119202071
4-ethoxy-N-phenylbutanamide
CID 112728021
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-phenylbutanoic acid
CID 119201844
2-phenyl-2-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]butanoic acid
CID 120519046
2-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-2-phenylbutanoic acid
CID 119202069
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylbutanoic acid
CID 119201964
2-[2-[(4-ethoxybutanoylamino)methyl]phenyl]acetic acid
CID 81317970
2-(4-chlorophenyl)-2-[4-(2,2-dimethylpropanoylamino)butanoylamino]butanoic acid
CID 120977675
2-phenyl-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]butanoic acid
CID 119201955
N-(2-methylbutan-2-yl)-4-phenoxybutanamide
CID 17372829
methyl (2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-phenylbutanoate
CID 95308682
N-tritylpentanamide
CID 71163215

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid?
The IUPAC name of 2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid (CID 119201999) is 2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid.
What is the SMILES notation for 2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid?
The canonical SMILES for 2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid is CCOCCCC(=O)NC(CC)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid?
The InChIKey is SDPAVAWPNZSAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-16(15(19)20,13-9-6-5-7-10-13)17-14(18)11-8-12-21-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid?
2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxybutanoylamino)-2-phenylbutanoic acid is sourced from PubChem (CID 119201999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).