N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide

C17H23NO2 — CID 55570164

IUPACN-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-2-12-20-16-10-8-15(9-11-16)17(19)18-13-14-6-4-3-5-7-14/h2,8-11,14H,1,3-7,12-13H2,(H,18,19)
InChIKeyGZBBGEGQHLSERU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.56
Rot. Bonds6

About N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide

N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide (PubChem CID 55570164) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
PubChem CID55570164
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-2-12-20-16-10-8-15(9-11-16)17(19)18-13-14-6-4-3-5-7-14/h2,8-11,14H,1,3-7,12-13H2,(H,18,19)
InChIKeyGZBBGEGQHLSERU-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyloxy-4-prop-2-enoxybenzamide
CID 83202037
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
[4-(cyclohexylmethylcarbamoyl)phenyl]boronic acid
CID 71430774
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
CID 99590993
N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119478238
4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120943780
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
N-[(2S)-2-hydroxypropyl]-4-prop-2-enoxybenzamide
CID 83030992
N-[(3-aminocyclohexyl)methyl]-4-ethoxybenzamide
CID 106123228
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40768505

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide (CID 55570164) is N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide?
The InChIKey is GZBBGEGQHLSERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-12-20-16-10-8-15(9-11-16)17(19)18-13-14-6-4-3-5-7-14/h2,8-11,14H,1,3-7,12-13H2,(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide?
N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide has a molecular weight of 273.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 55570164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).