N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide

C18H28ClNO — CID 107205692

IUPACN-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)N(C)CCCCCCl)c1ccccc1
InChIInChI=1S/C18H28ClNO/c1-4-15(2)17(16-11-7-5-8-12-16)18(21)20(3)14-10-6-9-13-19/h5,7-8,11-12,15,17H,4,6,9-10,13-14H2,1-3H3
InChIKeyWNEKSVAULLDWOX-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.68
Rot. Bonds9

About N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide

N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide (PubChem CID 107205692) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide
PubChem CID107205692
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)N(C)CCCCCCl)c1ccccc1
InChIInChI=1S/C18H28ClNO/c1-4-15(2)17(16-11-7-5-8-12-16)18(21)20(3)14-10-6-9-13-19/h5,7-8,11-12,15,17H,4,6,9-10,13-14H2,1-3H3
InChIKeyWNEKSVAULLDWOX-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.68
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-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide
CID 80658652
3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
N-(2-hydroxypropyl)-N,3-dimethyl-2-phenylpentanamide
CID 62335322
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
CID 61021604
N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide
CID 102867408
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
N,3-dimethyl-2-phenyl-N-piperidin-4-ylpentanamide
CID 43602183
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
N-(5-chloropentyl)-N-methyl-2-propylpentanamide
CID 107205571

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide?
The IUPAC name of N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide (CID 107205692) is N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide.
What is the SMILES notation for N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide?
The canonical SMILES for N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide is CCC(C)C(C(=O)N(C)CCCCCCl)c1ccccc1.
What is the InChIKey of N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide?
The InChIKey is WNEKSVAULLDWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-4-15(2)17(16-11-7-5-8-12-16)18(21)20(3)14-10-6-9-13-19/h5,7-8,11-12,15,17H,4,6,9-10,13-14H2,1-3H3.
What are the key properties of N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide?
N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide has a molecular weight of 309.88 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide is sourced from PubChem (CID 107205692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).