N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide

C17H26ClNO — CID 106144537

IUPACN-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCC(C)(C)CCCCl)c1ccccc1
InChIInChI=1S/C17H26ClNO/c1-4-15(14-9-6-5-7-10-14)16(20)19-13-17(2,3)11-8-12-18/h5-7,9-10,15H,4,8,11-13H2,1-3H3,(H,19,20)
InChIKeyDMQHZIAYOYIKGL-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.34
Rot. Bonds8

About N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide

N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide (PubChem CID 106144537) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide
PubChem CID106144537
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCC(C)(C)CCCCl)c1ccccc1
InChIInChI=1S/C17H26ClNO/c1-4-15(14-9-6-5-7-10-14)16(20)19-13-17(2,3)11-8-12-18/h5-7,9-10,15H,4,8,11-13H2,1-3H3,(H,19,20)
InChIKeyDMQHZIAYOYIKGL-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.34
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-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide
CID 103772501
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide
CID 103681477
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
(2R)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-2-phenylbutanamide
CID 95626525
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylbutanamide
CID 119099245
N-(4-aminopentyl)-2-phenylbutanamide
CID 106122519
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide (CID 106144537) is N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide is CCC(C(=O)NCC(C)(C)CCCCl)c1ccccc1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide?
The InChIKey is DMQHZIAYOYIKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-15(14-9-6-5-7-10-14)16(20)19-13-17(2,3)11-8-12-18/h5-7,9-10,15H,4,8,11-13H2,1-3H3,(H,19,20).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide?
N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide has a molecular weight of 295.85 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide is sourced from PubChem (CID 106144537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).