(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide

C18H25NO2 — CID 890681

IUPAC(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C18H25NO2/c1-3-19(16-7-5-4-6-8-16)18(20)14-11-15-9-12-17(21-2)13-10-15/h9-14,16H,3-8H2,1-2H3/b14-11+
InChIKeyMMVDXYQDPMUQKY-SDNWHVSQSA-N
MW287.40 g/mol
LogP3.89
Rot. Bonds5

About (E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 890681) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID890681
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(OC)cc1)C1CCCCC1
InChIInChI=1S/C18H25NO2/c1-3-19(16-7-5-4-6-8-16)18(20)14-11-15-9-12-17(21-2)13-10-15/h9-14,16H,3-8H2,1-2H3/b14-11+
InChIKeyMMVDXYQDPMUQKY-SDNWHVSQSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide
CID 55377955
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 103597835
(E)-N-benzyl-N-cyclohex-2-en-1-yl-3-(4-methoxyphenyl)prop-2-enamide
CID 101484905
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 71962633
4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 103597808
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 884483
[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4803375
(E)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 7260080

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide (CID 890681) is (E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide is CCN(C(=O)/C=C/c1ccc(OC)cc1)C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is MMVDXYQDPMUQKY-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-19(16-7-5-4-6-8-16)18(20)14-11-15-9-12-17(21-2)13-10-15/h9-14,16H,3-8H2,1-2H3/b14-11+.
What are the key properties of (E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 287.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 890681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).