N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide

C11H22ClNO — CID 114877077

IUPACN-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)C(C)CCl
InChIInChI=1S/C11H22ClNO/c1-5-8(2)6-11(14)13-10(4)9(3)7-12/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyLYTNJFGBJIVAMU-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.80
Rot. Bonds6

About N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide

N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide (PubChem CID 114877077) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide
PubChem CID114877077
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)C(C)CCl
InChIInChI=1S/C11H22ClNO/c1-5-8(2)6-11(14)13-10(4)9(3)7-12/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyLYTNJFGBJIVAMU-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'}

Analyze N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)-3-methylpentanamide
CID 114875462
N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide
CID 114876936
N-(1-bromopropan-2-yl)-3-methylpentanamide
CID 114876990
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
(2S)-3-methyl-2-(3-methylpentanoylamino)butanoic acid
CID 104982198
N-[2-(chloromethyl)-2-ethylbutyl]-3-methylpentanamide
CID 106254168
N-(5-chloro-4-methylpentyl)-3-methylpentanamide
CID 106157142
3-hydroxy-2-(3-methylpentanoylamino)butanoic acid
CID 114873567
N-(4-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212703
5-(3-methylpentanoylamino)hexanoic acid
CID 114873856
N-hex-5-yn-3-yl-3-methylpentanamide
CID 114876499
2-methylpropyl 2-(3-methylpentanoylamino)propanoate
CID 22492175

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide?
The IUPAC name of N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide (CID 114877077) is N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide?
The canonical SMILES for N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide is CCC(C)CC(=O)NC(C)C(C)CCl.
What is the InChIKey of N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide?
The InChIKey is LYTNJFGBJIVAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-5-8(2)6-11(14)13-10(4)9(3)7-12/h8-10H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide?
N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide 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-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 114877077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).