(E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide

C19H25NO2 — CID 24760774

IUPAC(E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C=C/C2=C(C)CCCC2(C)C)c1
InChIInChI=1S/C19H25NO2/c1-14-7-6-12-19(2,3)17(14)10-11-18(21)20-15-8-5-9-16(13-15)22-4/h5,8-11,13H,6-7,12H2,1-4H3,(H,20,21)/b11-10+
InChIKeyXERKARHESNUGIO-ZHACJKMWSA-N
MW299.41 g/mol
LogP4.72
Rot. Bonds4

About (E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide

(E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide (PubChem CID 24760774) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
PubChem CID24760774
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C=C/C2=C(C)CCCC2(C)C)c1
InChIInChI=1S/C19H25NO2/c1-14-7-6-12-19(2,3)17(14)10-11-18(21)20-15-8-5-9-16(13-15)22-4/h5,8-11,13H,6-7,12H2,1-4H3,(H,20,21)/b11-10+
InChIKeyXERKARHESNUGIO-ZHACJKMWSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
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-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
CID 24760772
(1E,4E)-1-(2-methoxyphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one
CID 71456577
(E)-N-(3-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 17423420
(E)-3-oxo-N-phenyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-enethioamide
CID 11595070
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 6146604
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 2654528
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-(3-methoxyphenyl)-3-phenoxyprop-2-enamide
CID 69127158
(E)-N-methoxy-N-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
CID 10561866
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727
(1E,4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one
CID 71472183
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 40627773

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide (CID 24760774) is (E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide is COc1cccc(NC(=O)/C=C/C2=C(C)CCCC2(C)C)c1.
What is the InChIKey of (E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
The InChIKey is XERKARHESNUGIO-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14-7-6-12-19(2,3)17(14)10-11-18(21)20-15-8-5-9-16(13-15)22-4/h5,8-11,13H,6-7,12H2,1-4H3,(H,20,21)/b11-10+.
What are the key properties of (E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
(E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide has a molecular weight of 299.41 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methoxyphenyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide is sourced from PubChem (CID 24760774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).