N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide

C17H24ClNO2 — CID 106131941

IUPACN-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC2CCCC(Cl)C2)c1
InChIInChI=1S/C17H24ClNO2/c1-13-4-2-7-16(10-13)21-9-8-17(20)19-12-14-5-3-6-15(18)11-14/h2,4,7,10,14-15H,3,5-6,8-9,11-12H2,1H3,(H,19,20)
InChIKeyPFVICWLPMVSSDG-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.68
Rot. Bonds6

About N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide

N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide (PubChem CID 106131941) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide
PubChem CID106131941
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC2CCCC(Cl)C2)c1
InChIInChI=1S/C17H24ClNO2/c1-13-4-2-7-16(10-13)21-9-8-17(20)19-12-14-5-3-6-15(18)11-14/h2,4,7,10,14-15H,3,5-6,8-9,11-12H2,1H3,(H,19,20)
InChIKeyPFVICWLPMVSSDG-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
CID 114317193
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
CID 106123073
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
(3-methylphenyl) N-(cyclopentylmethyl)carbamate
CID 141077229
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 55023975
3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66033106
3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006892
N-[2-(3-methylphenoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 62211308
2-[2-[3-(3-methylphenoxy)propanoylamino]ethoxy]acetic acid
CID 79457981

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide (CID 106131941) is N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCC2CCCC(Cl)C2)c1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is PFVICWLPMVSSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-13-4-2-7-16(10-13)21-9-8-17(20)19-12-14-5-3-6-15(18)11-14/h2,4,7,10,14-15H,3,5-6,8-9,11-12H2,1H3,(H,19,20).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide?
N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 309.84 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 106131941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).