N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide

C18H27NO3 — CID 134029943

IUPACN-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCCOC2CCCCC2)c1
InChIInChI=1S/C18H27NO3/c1-15-7-5-10-17(13-15)22-14-18(20)19-11-6-12-21-16-8-3-2-4-9-16/h5,7,10,13,16H,2-4,6,8-9,11-12,14H2,1H3,(H,19,20)
InChIKeyWNTDUSOCVXVOHE-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.23
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide

N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide (PubChem CID 134029943) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
PubChem CID134029943
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCCOC2CCCCC2)c1
InChIInChI=1S/C18H27NO3/c1-15-7-5-10-17(13-15)22-14-18(20)19-11-6-12-21-16-8-3-2-4-9-16/h5,7,10,13,16H,2-4,6,8-9,11-12,14H2,1H3,(H,19,20)
InChIKeyWNTDUSOCVXVOHE-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119620664
N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 40659124
N-[3-[2-(3-cyclohexyloxypropylamino)-2-oxoethoxy]phenyl]benzamide
CID 78902869
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
2-(3-methylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86928887
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 47014235

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide (CID 134029943) is N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCCCOC2CCCCC2)c1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide?
The InChIKey is WNTDUSOCVXVOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-15-7-5-10-17(13-15)22-14-18(20)19-11-6-12-21-16-8-3-2-4-9-16/h5,7,10,13,16H,2-4,6,8-9,11-12,14H2,1H3,(H,19,20).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide?
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 134029943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).