N-(5-chloropentyl)-N-methyl-2-propylpentanamide

C14H28ClNO — CID 107205571

IUPACN-(5-chloropentyl)-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)CCCCCCl
InChIInChI=1S/C14H28ClNO/c1-4-9-13(10-5-2)14(17)16(3)12-8-6-7-11-15/h13H,4-12H2,1-3H3
InChIKeyWPVJMYJGICNGBE-UHFFFAOYSA-N
MW261.84 g/mol
LogP4.07
Rot. Bonds10

About N-(5-chloropentyl)-N-methyl-2-propylpentanamide

N-(5-chloropentyl)-N-methyl-2-propylpentanamide (PubChem CID 107205571) has the molecular formula C14H28ClNO and a molecular weight of 261.84 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methyl-2-propylpentanamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methyl-2-propylpentanamide
PubChem CID107205571
Molecular FormulaC14H28ClNO
Molecular Weight261.84 g/mol
Exact Mass261.19
IUPAC NameN-(5-chloropentyl)-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)CCCCCCl
InChIInChI=1S/C14H28ClNO/c1-4-9-13(10-5-2)14(17)16(3)12-8-6-7-11-15/h13H,4-12H2,1-3H3
InChIKeyWPVJMYJGICNGBE-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide
CID 107202800
2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide
CID 168943795
3-[methyl(2-propylpentanoyl)amino]propanoic acid
CID 82985471
N-(2-chloroethyl)-2-ethyl-N-methylhexanamide
CID 63391803
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740
N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
CID 14944519
N,N'-dibutyl-N,N'-dimethyl-2-octadecylpropanediamide
CID 71348515
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
N-(cyanomethyl)-N-methyl-2-propylpentanamide
CID 115532829
N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide
CID 107205692
1-N,10-N-diheptyl-1-N,10-N-dimethyldecane-1,1,10,10-tetracarboxamide
CID 142691443
N,N'-diheptyl-2-methoxy-N,N'-dimethylpropanediamide
CID 614798

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methyl-2-propylpentanamide?
The IUPAC name of N-(5-chloropentyl)-N-methyl-2-propylpentanamide (CID 107205571) is N-(5-chloropentyl)-N-methyl-2-propylpentanamide.
What is the SMILES notation for N-(5-chloropentyl)-N-methyl-2-propylpentanamide?
The canonical SMILES for N-(5-chloropentyl)-N-methyl-2-propylpentanamide is CCCC(CCC)C(=O)N(C)CCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-N-methyl-2-propylpentanamide?
The InChIKey is WPVJMYJGICNGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO/c1-4-9-13(10-5-2)14(17)16(3)12-8-6-7-11-15/h13H,4-12H2,1-3H3.
What are the key properties of N-(5-chloropentyl)-N-methyl-2-propylpentanamide?
N-(5-chloropentyl)-N-methyl-2-propylpentanamide has a molecular weight of 261.84 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methyl-2-propylpentanamide is sourced from PubChem (CID 107205571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).