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

C18H25NO — CID 55377955

IUPAC(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C18H25NO/c1-3-19(17-7-5-4-6-8-17)18(20)14-13-16-11-9-15(2)10-12-16/h9-14,17H,3-8H2,1-2H3/b14-13+
InChIKeyLTHSTKRPOJMTLD-BUHFOSPRSA-N
MW271.40 g/mol
LogP4.19
Rot. Bonds4

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

(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide (PubChem CID 55377955) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide
PubChem CID55377955
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C18H25NO/c1-3-19(17-7-5-4-6-8-17)18(20)14-13-16-11-9-15(2)10-12-16/h9-14,17H,3-8H2,1-2H3/b14-13+
InChIKeyLTHSTKRPOJMTLD-BUHFOSPRSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methoxyphenyl)prop-2-enamide
CID 890681
ethyl 2-[cyclopropyl-[3-(4-methylphenyl)prop-2-enoyl]amino]acetate
CID 76903584
4-[3-[cyclopropyl(ethyl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 103597808
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 103597835
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 884483
(E)-3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 55520338
3-[3-(4-methylphenyl)prop-2-enoyl-(oxan-4-yl)amino]propanoic acid
CID 126781002
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2381526
(E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide
CID 115343333
(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 17468520
(E)-N-cyclohexyl-N-ethylhex-2-enamide
CID 26794549

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide (CID 55377955) is (E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide is CCN(C(=O)/C=C/c1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is LTHSTKRPOJMTLD-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-19(17-7-5-4-6-8-17)18(20)14-13-16-11-9-15(2)10-12-16/h9-14,17H,3-8H2,1-2H3/b14-13+.
What are the key properties of (E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide?
(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 271.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 55377955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).