N-(2-chloro-4-methylpentyl)-3-methylbutanamide

C11H22ClNO — CID 107157282

IUPACN-(2-chloro-4-methylpentyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(Cl)CC(C)C
InChIInChI=1S/C11H22ClNO/c1-8(2)5-10(12)7-13-11(14)6-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyZTEMAXGPKXTSJI-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.80
Rot. Bonds6

About N-(2-chloro-4-methylpentyl)-3-methylbutanamide

N-(2-chloro-4-methylpentyl)-3-methylbutanamide (PubChem CID 107157282) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-3-methylbutanamide
PubChem CID107157282
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-(2-chloro-4-methylpentyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(Cl)CC(C)C
InChIInChI=1S/C11H22ClNO/c1-8(2)5-10(12)7-13-11(14)6-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyZTEMAXGPKXTSJI-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107157536
methyl 2-bromo-3-(3-methylbutanoylamino)propanoate
CID 103492559
N-(2-chloro-4-methylpentyl)-3-phenoxypropanamide
CID 107157346
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
CID 59983678
(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 107157225
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
5-methyl-N,3-bis(2-methylpropyl)-4-oxohexanamide
CID 159197517
3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
CID 162127345

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-3-methylbutanamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-3-methylbutanamide (CID 107157282) is N-(2-chloro-4-methylpentyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-3-methylbutanamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-3-methylbutanamide is CC(C)CC(=O)NCC(Cl)CC(C)C.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-3-methylbutanamide?
The InChIKey is ZTEMAXGPKXTSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-8(2)5-10(12)7-13-11(14)6-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(2-chloro-4-methylpentyl)-3-methylbutanamide?
N-(2-chloro-4-methylpentyl)-3-methylbutanamide has a molecular weight of 219.76 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-3-methylbutanamide is sourced from PubChem (CID 107157282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).