(E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide

C17H23NO2 — CID 24678020

IUPAC(E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C17H23NO2/c1-20-16-9-5-8-14(12-16)10-11-17(19)18-13-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,18,19)/b11-10+
InChIKeyLUAMFBZSBQBKJA-ZHACJKMWSA-N
MW273.38 g/mol
LogP3.40
Rot. Bonds5

About (E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 24678020) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID24678020
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C17H23NO2/c1-20-16-9-5-8-14(12-16)10-11-17(19)18-13-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,18,19)/b11-10+
InChIKeyLUAMFBZSBQBKJA-ZHACJKMWSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(9Z,12Z)-N-(3-Methoxybenzyl)Octadeca-9,12-Dienamide
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N-[3-(3-methoxyphenyl)propyl]acetamide
CID 10750842
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-2-propenamide
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Tmppaa
CID 889955
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CID 10403282

Frequently Asked Questions

What is the IUPAC name of (E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide (CID 24678020) is (E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NCC2CCCCC2)c1.
What is the InChIKey of (E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is LUAMFBZSBQBKJA-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-16-9-5-8-14(12-16)10-11-17(19)18-13-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,18,19)/b11-10+.
What are the key properties of (E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 273.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclohexylmethyl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 24678020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).