N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide

C15H30ClNO — CID 106355550

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(CCCl)C(C)(C)C
InChIInChI=1S/C15H30ClNO/c1-6-8-12(9-7-2)14(18)17-13(10-11-16)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,18)
InChIKeyYUKLNCJKBKTLGC-UHFFFAOYSA-N
MW275.86 g/mol
LogP4.36
Rot. Bonds8

About N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide (PubChem CID 106355550) has the molecular formula C15H30ClNO and a molecular weight of 275.86 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide
PubChem CID106355550
Molecular FormulaC15H30ClNO
Molecular Weight275.86 g/mol
Exact Mass275.20
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(CCCl)C(C)(C)C
InChIInChI=1S/C15H30ClNO/c1-6-8-12(9-7-2)14(18)17-13(10-11-16)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,18)
InChIKeyYUKLNCJKBKTLGC-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.86
LogP ≤ 54.36
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-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 106355698
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
CID 114178195
N-(4-methylpentan-2-yl)-2-propylpentanamide
CID 173327827
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 106355819
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 106355515
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106355559
N-butan-2-yl-2-propylpentanamide
CID 115532227
2-(2-propylpentanoylamino)butanedioic acid
CID 82985290
N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106355594
N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide
CID 90523339
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576
(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid
CID 107822514

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide (CID 106355550) is N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide is CCCC(CCC)C(=O)NC(CCCl)C(C)(C)C.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide?
The InChIKey is YUKLNCJKBKTLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClNO/c1-6-8-12(9-7-2)14(18)17-13(10-11-16)15(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,18).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide has a molecular weight of 275.86 g/mol, XLogP of 4.36, 8 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)-2-propylpentanamide is sourced from PubChem (CID 106355550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).