N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide

C15H28ClNO — CID 106355641

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
SMILESCC(C)(C)C(CCCl)NC(=O)CCC1CCCC1
InChIInChI=1S/C15H28ClNO/c1-15(2,3)13(10-11-16)17-14(18)9-8-12-6-4-5-7-12/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyZPLIWRQBKNMVDT-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.12
Rot. Bonds6

About N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide (PubChem CID 106355641) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
PubChem CID106355641
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
SMILESCC(C)(C)C(CCCl)NC(=O)CCC1CCCC1
InChIInChI=1S/C15H28ClNO/c1-15(2,3)13(10-11-16)17-14(18)9-8-12-6-4-5-7-12/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyZPLIWRQBKNMVDT-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.12
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-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106354559
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-3-ylpropanamide
CID 106350021
N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
N-[(3S)-1-cyclohexyl-4,4-dimethylpentan-3-yl]acetamide
CID 156887281
N-(1-amino-4,4-dimethylpentan-3-yl)-2-cyclopentylacetamide
CID 114178189
N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106355594
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-cycloheptylacetamide
CID 106356110
3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide
CID 73254061
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
CID 63930209

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide (CID 106355641) is N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide is CC(C)(C)C(CCCl)NC(=O)CCC1CCCC1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide?
The InChIKey is ZPLIWRQBKNMVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-15(2,3)13(10-11-16)17-14(18)9-8-12-6-4-5-7-12/h12-13H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide has a molecular weight of 273.85 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide is sourced from PubChem (CID 106355641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).