N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide

C17H25NO2 — CID 18115473

IUPACN-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
SMILESCCC(NC(=O)C1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO2/c1-3-16(13-9-11-15(20-2)12-10-13)18-17(19)14-7-5-4-6-8-14/h9-12,14,16H,3-8H2,1-2H3,(H,18,19)
InChIKeyBLXPJPIALMVPSA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.84
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide

N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide (PubChem CID 18115473) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
PubChem CID18115473
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
SMILESCCC(NC(=O)C1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO2/c1-3-16(13-9-11-15(20-2)12-10-13)18-17(19)14-7-5-4-6-8-14/h9-12,14,16H,3-8H2,1-2H3,(H,18,19)
InChIKeyBLXPJPIALMVPSA-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
N-[1-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 43708609
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072801
(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120618239
(4S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311059
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46776533
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120784333
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
3-(cyclohexanecarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 3621497

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide (CID 18115473) is N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide is CCC(NC(=O)C1CCCCC1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide?
The InChIKey is BLXPJPIALMVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-16(13-9-11-15(20-2)12-10-13)18-17(19)14-7-5-4-6-8-14/h9-12,14,16H,3-8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide?
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide is sourced from PubChem (CID 18115473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).