(E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide

C23H25NO2 — CID 101484905

IUPAC(E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(Cc2ccccc2)C2C=CCCC2)cc1
InChIInChI=1S/C23H25NO2/c1-26-22-15-12-19(13-16-22)14-17-23(25)24(21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2,4-6,8-10,12-17,21H,3,7,11,18H2,1H3/b17-14+
InChIKeyBCMJNBCWUVUFJK-SAPNQHFASA-N
MW347.46 g/mol
LogP4.85
Rot. Bonds6

About (E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 101484905) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID101484905
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(Cc2ccccc2)C2C=CCCC2)cc1
InChIInChI=1S/C23H25NO2/c1-26-22-15-12-19(13-16-22)14-17-23(25)24(21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2,4-6,8-10,12-17,21H,3,7,11,18H2,1H3/b17-14+
InChIKeyBCMJNBCWUVUFJK-SAPNQHFASA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3346658
(1S)-N-benzyl-N-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-amine
CID 102357278
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681
N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-enamide
CID 3326822
N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide
CID 11065293
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3753374
benzyl (2S)-2-[3-(4-methoxyphenyl)prop-2-enoyl-methylamino]propanoate
CID 54166245
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 162400827
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide
CID 110498603

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide (CID 101484905) is (E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)N(Cc2ccccc2)C2C=CCCC2)cc1.
What is the InChIKey of (E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is BCMJNBCWUVUFJK-SAPNQHFASA-N. The full InChI is InChI=1S/C23H25NO2/c1-26-22-15-12-19(13-16-22)14-17-23(25)24(21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2,4-6,8-10,12-17,21H,3,7,11,18H2,1H3/b17-14+.
What are the key properties of (E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 347.46 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 101484905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).