N-(4-methylpentyl)propanamide

C9H19NO — CID 54140551

IUPACN-(4-methylpentyl)propanamide
SMILESCCC(=O)NCCCC(C)C
InChIInChI=1S/C9H19NO/c1-4-9(11)10-7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyDMGCKPJDWVLWCJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds5

About N-(4-methylpentyl)propanamide

N-(4-methylpentyl)propanamide (PubChem CID 54140551) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(4-methylpentyl)propanamide.

Molecular Properties

Compound NameN-(4-methylpentyl)propanamide
PubChem CID54140551
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(4-methylpentyl)propanamide
SMILESCCC(=O)NCCCC(C)C
InChIInChI=1S/C9H19NO/c1-4-9(11)10-7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyDMGCKPJDWVLWCJ-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxypentyl)propanamide
CID 107299540
N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
CID 177233499
N-(6-hydroxyheptyl)propanamide
CID 91284740
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide
CID 159658097
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
N-butyl-7-methyloctanamide
CID 154028337
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
N-(4-bromopentyl)-4-methylpentanamide
CID 106131429
2-acetamido-N-(4-methylpentyl)propanamide
CID 134023295

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)propanamide?
The IUPAC name of N-(4-methylpentyl)propanamide (CID 54140551) is N-(4-methylpentyl)propanamide.
What is the SMILES notation for N-(4-methylpentyl)propanamide?
The canonical SMILES for N-(4-methylpentyl)propanamide is CCC(=O)NCCCC(C)C.
What is the InChIKey of N-(4-methylpentyl)propanamide?
The InChIKey is DMGCKPJDWVLWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(11)10-7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(4-methylpentyl)propanamide?
N-(4-methylpentyl)propanamide has a molecular weight of 157.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)propanamide is sourced from PubChem (CID 54140551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).