N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide

C12H22ClNO — CID 106168566

IUPACN-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
SMILESCCC(C)(CCCl)NC(=O)CC1CCC1
InChIInChI=1S/C12H22ClNO/c1-3-12(2,7-8-13)14-11(15)9-10-5-4-6-10/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyMRXJGRQKLJCTDR-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.09
Rot. Bonds6

About N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide

N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide (PubChem CID 106168566) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
PubChem CID106168566
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
SMILESCCC(C)(CCCl)NC(=O)CC1CCC1
InChIInChI=1S/C12H22ClNO/c1-3-12(2,7-8-13)14-11(15)9-10-5-4-6-10/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyMRXJGRQKLJCTDR-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.09
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

2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
CID 106168508
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide
CID 106168655
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 106176187
methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate
CID 124597025
N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
N-(1-chloro-3-methylpentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 114153050
N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
CID 61119984

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide (CID 106168566) is N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide is CCC(C)(CCCl)NC(=O)CC1CCC1.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide?
The InChIKey is MRXJGRQKLJCTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-3-12(2,7-8-13)14-11(15)9-10-5-4-6-10/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide?
N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide has a molecular weight of 231.77 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide is sourced from PubChem (CID 106168566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).