(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide

C18H25NO2 — CID 55468763

IUPAC(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)N(C)C2CCCCCC2)c1
InChIInChI=1S/C18H25NO2/c1-19(16-9-5-3-4-6-10-16)18(20)13-12-15-8-7-11-17(14-15)21-2/h7-8,11-14,16H,3-6,9-10H2,1-2H3/b13-12+
InChIKeyNBUZPPFOFOKUDY-OUKQBFOZSA-N
MW287.40 g/mol
LogP3.89
Rot. Bonds4

About (E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide

(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 55468763) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID55468763
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)N(C)C2CCCCCC2)c1
InChIInChI=1S/C18H25NO2/c1-19(16-9-5-3-4-6-10-16)18(20)13-12-15-8-7-11-17(14-15)21-2/h7-8,11-14,16H,3-6,9-10H2,1-2H3/b13-12+
InChIKeyNBUZPPFOFOKUDY-OUKQBFOZSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
3-(3-bromophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 3285208
N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 77404867
(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
CID 27396979
(E)-3-(1,3-benzodioxol-5-yl)-N-cycloheptyl-N-methylprop-2-enamide
CID 51287153
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784
(Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one
CID 92858992
(E)-3-(3-aminophenyl)-N-methyl-N-(oxan-4-yl)prop-2-enamide
CID 115342972

Frequently Asked Questions

What is the IUPAC name of (E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide (CID 55468763) is (E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide is COc1cccc(/C=C/C(=O)N(C)C2CCCCCC2)c1.
What is the InChIKey of (E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is NBUZPPFOFOKUDY-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H25NO2/c1-19(16-9-5-3-4-6-10-16)18(20)13-12-15-8-7-11-17(14-15)21-2/h7-8,11-14,16H,3-6,9-10H2,1-2H3/b13-12+.
What are the key properties of (E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide?
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 287.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 55468763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).