N-(4-aminopentyl)-2-phenylbutanamide

C15H24N2O — CID 106122519

IUPACN-(4-aminopentyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCCCC(C)N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-14(13-9-5-4-6-10-13)15(18)17-11-7-8-12(2)16/h4-6,9-10,12,14H,3,7-8,11,16H2,1-2H3,(H,17,18)
InChIKeyXNMSREJCIIRVNI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds7

About N-(4-aminopentyl)-2-phenylbutanamide

N-(4-aminopentyl)-2-phenylbutanamide (PubChem CID 106122519) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(4-aminopentyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-2-phenylbutanamide
PubChem CID106122519
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(4-aminopentyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCCCC(C)N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-14(13-9-5-4-6-10-13)15(18)17-11-7-8-12(2)16/h4-6,9-10,12,14H,3,7-8,11,16H2,1-2H3,(H,17,18)
InChIKeyXNMSREJCIIRVNI-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.42
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-(5-bromo-4-methylpentyl)-2-phenylbutanamide
CID 106157795
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2S)-N-ethoxy-2-phenylbutanamide
CID 94018307
ethyl 4-(butylamino)-4-oxo-3-phenylbutanoate
CID 10802492
4-methyl-5-(2-phenylbutanoylamino)pentanoic acid
CID 82017105
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-phenylbutanamide
CID 55101948
ethyl 4-(2-phenylpentanoylamino)butanoate
CID 78785454
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672
(2-phenylbutanoylamino)urea
CID 63946462
N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-2-phenylbutanamide?
The IUPAC name of N-(4-aminopentyl)-2-phenylbutanamide (CID 106122519) is N-(4-aminopentyl)-2-phenylbutanamide.
What is the SMILES notation for N-(4-aminopentyl)-2-phenylbutanamide?
The canonical SMILES for N-(4-aminopentyl)-2-phenylbutanamide is CCC(C(=O)NCCCC(C)N)c1ccccc1.
What is the InChIKey of N-(4-aminopentyl)-2-phenylbutanamide?
The InChIKey is XNMSREJCIIRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14(13-9-5-4-6-10-13)15(18)17-11-7-8-12(2)16/h4-6,9-10,12,14H,3,7-8,11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-aminopentyl)-2-phenylbutanamide?
N-(4-aminopentyl)-2-phenylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-2-phenylbutanamide is sourced from PubChem (CID 106122519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).