(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide

C23H27NO3 — CID 51057820

IUPAC(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NC2CCCCC2)c1OCc1ccccc1
InChIInChI=1S/C23H27NO3/c1-26-21-14-8-11-19(23(21)27-17-18-9-4-2-5-10-18)15-16-22(25)24-20-12-6-3-7-13-20/h2,4-5,8-11,14-16,20H,3,6-7,12-13,17H2,1H3,(H,24,25)/b16-15+
InChIKeyONIUSKZEKURAFR-FOCLMDBBSA-N
MW365.47 g/mol
LogP4.74
Rot. Bonds7

About (E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide

(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 51057820) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
PubChem CID51057820
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NC2CCCCC2)c1OCc1ccccc1
InChIInChI=1S/C23H27NO3/c1-26-21-14-8-11-19(23(21)27-17-18-9-4-2-5-10-18)15-16-22(25)24-20-12-6-3-7-13-20/h2,4-5,8-11,14-16,20H,3,6-7,12-13,17H2,1H3,(H,24,25)/b16-15+
InChIKeyONIUSKZEKURAFR-FOCLMDBBSA-N
XLogP4.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
(E)-N-(2-chlorophenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057801
(E)-1-(2-hydroxyphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887381
(E)-N-benzyl-3-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 51058036
(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057815
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide
CID 19201438
(E)-3-(2,3-dimethoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 8004597
(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057812

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide (CID 51057820) is (E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NC2CCCCC2)c1OCc1ccccc1.
What is the InChIKey of (E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is ONIUSKZEKURAFR-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H27NO3/c1-26-21-14-8-11-19(23(21)27-17-18-9-4-2-5-10-18)15-16-22(25)24-20-12-6-3-7-13-20/h2,4-5,8-11,14-16,20H,3,6-7,12-13,17H2,1H3,(H,24,25)/b16-15+.
What are the key properties of (E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide?
(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 365.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 51057820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).