N-(5-bromo-4-methylpentyl)-2-phenylbutanamide

C16H24BrNO — CID 106157795

IUPACN-(5-bromo-4-methylpentyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCCCC(C)CBr)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-3-15(14-9-5-4-6-10-14)16(19)18-11-7-8-13(2)12-17/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3,(H,18,19)
InChIKeyKTPBHWIKJRSSQK-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.11
Rot. Bonds8

About N-(5-bromo-4-methylpentyl)-2-phenylbutanamide

N-(5-bromo-4-methylpentyl)-2-phenylbutanamide (PubChem CID 106157795) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-2-phenylbutanamide
PubChem CID106157795
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(5-bromo-4-methylpentyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCCCC(C)CBr)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-3-15(14-9-5-4-6-10-14)16(19)18-11-7-8-13(2)12-17/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3,(H,18,19)
InChIKeyKTPBHWIKJRSSQK-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminopentyl)-2-phenylbutanamide
CID 106122519
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
4-methyl-5-(2-phenylbutanoylamino)pentanoic acid
CID 82017105
N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718
(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
CID 100696177
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide
CID 106157892
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-phenylbutanamide
CID 55101948
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-2-phenylbutanamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-2-phenylbutanamide (CID 106157795) is N-(5-bromo-4-methylpentyl)-2-phenylbutanamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-2-phenylbutanamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-2-phenylbutanamide is CCC(C(=O)NCCCC(C)CBr)c1ccccc1.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-2-phenylbutanamide?
The InChIKey is KTPBHWIKJRSSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-15(14-9-5-4-6-10-14)16(19)18-11-7-8-13(2)12-17/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(5-bromo-4-methylpentyl)-2-phenylbutanamide?
N-(5-bromo-4-methylpentyl)-2-phenylbutanamide has a molecular weight of 326.28 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-2-phenylbutanamide is sourced from PubChem (CID 106157795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).