N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide

C15H26ClNO — CID 112745155

IUPACN-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide
SMILESCC(CCl)C(C)NC(=O)C(C1CCC1)C1CCC1
InChIInChI=1S/C15H26ClNO/c1-10(9-16)11(2)17-15(18)14(12-5-3-6-12)13-7-4-8-13/h10-14H,3-9H2,1-2H3,(H,17,18)
InChIKeyGCLCCWXCTRAQED-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.58
Rot. Bonds6

About N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide

N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide (PubChem CID 112745155) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide
PubChem CID112745155
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC NameN-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide
SMILESCC(CCl)C(C)NC(=O)C(C1CCC1)C1CCC1
InChIInChI=1S/C15H26ClNO/c1-10(9-16)11(2)17-15(18)14(12-5-3-6-12)13-7-4-8-13/h10-14H,3-9H2,1-2H3,(H,17,18)
InChIKeyGCLCCWXCTRAQED-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.58
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)-2,2-di(cyclobutyl)acetamide 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-chloro-3-methylbutan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311074
2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
CID 112744946
2,2-di(cyclobutyl)-N-(2-methylpropoxy)acetamide
CID 112745042
2,2-dicyclohexyl-N-ethylacetamide
CID 71067645
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
CID 119338014
3-cyclobutylbutanoic acid
CID 82594402
(3S)-3-cyclobutylbutanoic acid
CID 96733267
2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide
CID 112745153
2,2-di(cyclobutyl)-N-(2,2-dimethoxyethyl)acetamide
CID 112745014
3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide
CID 120501833
N-(4-chloro-3-methylbutan-2-yl)-3-methylpentanamide
CID 114877077
1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 115643204

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide?
The IUPAC name of N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide (CID 112745155) is N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide?
The canonical SMILES for N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide is CC(CCl)C(C)NC(=O)C(C1CCC1)C1CCC1.
What is the InChIKey of N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide?
The InChIKey is GCLCCWXCTRAQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-10(9-16)11(2)17-15(18)14(12-5-3-6-12)13-7-4-8-13/h10-14H,3-9H2,1-2H3,(H,17,18).
What are the key properties of N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide?
N-(4-chloro-3-methylbutan-2-yl)-2,2-di(cyclobutyl)acetamide has a molecular weight of 271.83 g/mol, XLogP of 3.58, 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)-2,2-di(cyclobutyl)acetamide is sourced from PubChem (CID 112745155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).