N-[2-(3-phenylpropanoylamino)ethyl]butanamide

C15H22N2O2 — CID 108573772

IUPACN-[2-(3-phenylpropanoylamino)ethyl]butanamide
SMILESCCCC(=O)NCCNC(=O)CCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-6-14(18)16-11-12-17-15(19)10-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyAPHVUYAJABQKTB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.65
Rot. Bonds8

About N-[2-(3-phenylpropanoylamino)ethyl]butanamide

N-[2-(3-phenylpropanoylamino)ethyl]butanamide (PubChem CID 108573772) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(3-phenylpropanoylamino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-phenylpropanoylamino)ethyl]butanamide
PubChem CID108573772
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(3-phenylpropanoylamino)ethyl]butanamide
SMILESCCCC(=O)NCCNC(=O)CCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-6-14(18)16-11-12-17-15(19)10-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyAPHVUYAJABQKTB-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)butanamide;sulfuryl dichloride
CID 163813551
benzyl N-[2-(butanoylamino)ethyl]carbamate
CID 130774623
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
N-[(E)-pent-3-enyl]-3-phenylpropanamide
CID 101244691
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
N-(4-phenylbutyl)hexanamide
CID 4985988
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-(2-phenylethylcarbamothioyl)butanamide
CID 5209312

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropanoylamino)ethyl]butanamide?
The IUPAC name of N-[2-(3-phenylpropanoylamino)ethyl]butanamide (CID 108573772) is N-[2-(3-phenylpropanoylamino)ethyl]butanamide.
What is the SMILES notation for N-[2-(3-phenylpropanoylamino)ethyl]butanamide?
The canonical SMILES for N-[2-(3-phenylpropanoylamino)ethyl]butanamide is CCCC(=O)NCCNC(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(3-phenylpropanoylamino)ethyl]butanamide?
The InChIKey is APHVUYAJABQKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-6-14(18)16-11-12-17-15(19)10-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(3-phenylpropanoylamino)ethyl]butanamide?
N-[2-(3-phenylpropanoylamino)ethyl]butanamide has a molecular weight of 262.35 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropanoylamino)ethyl]butanamide is sourced from PubChem (CID 108573772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).