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

C22H25NO — CID 24760772

IUPAC(E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
SMILESCC1=C(/C=C/C(=O)Nc2cccc3ccccc23)C(C)(C)CCC1
InChIInChI=1S/C22H25NO/c1-16-8-7-15-22(2,3)19(16)13-14-21(24)23-20-12-6-10-17-9-4-5-11-18(17)20/h4-6,9-14H,7-8,15H2,1-3H3,(H,23,24)/b14-13+
InChIKeyIGZPVRKNSXHLOE-BUHFOSPRSA-N
MW319.45 g/mol
LogP5.86
Rot. Bonds3

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

(E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide (PubChem CID 24760772) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is (E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
PubChem CID24760772
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name(E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
SMILESCC1=C(/C=C/C(=O)Nc2cccc3ccccc23)C(C)(C)CCC1
InChIInChI=1S/C22H25NO/c1-16-8-7-15-22(2,3)19(16)13-14-21(24)23-20-12-6-10-17-9-4-5-11-18(17)20/h4-6,9-14H,7-8,15H2,1-3H3,(H,23,24)/b14-13+
InChIKeyIGZPVRKNSXHLOE-BUHFOSPRSA-N
XLogP5.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxynaphthalen-1-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 87584620
(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
CID 24760851
N-[(4-chlorophenyl)methyl]-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
CID 67089131
N-(5-chloro-2-pyridinyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide
CID 67089142
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
(1E,4E)-1-(4-phenylphenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one
CID 44591382
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 104596031
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044
(E)-3-[3-(4-chlorophenoxy)-2,6,6-trimethylcyclohexen-1-yl]-N-isoquinolin-5-ylprop-2-enamide
CID 23653547

Frequently Asked Questions

What is the IUPAC name of (E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
The IUPAC name of (E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide (CID 24760772) is (E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
The canonical SMILES for (E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide is CC1=C(/C=C/C(=O)Nc2cccc3ccccc23)C(C)(C)CCC1.
What is the InChIKey of (E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
The InChIKey is IGZPVRKNSXHLOE-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H25NO/c1-16-8-7-15-22(2,3)19(16)13-14-21(24)23-20-12-6-10-17-9-4-5-11-18(17)20/h4-6,9-14H,7-8,15H2,1-3H3,(H,23,24)/b14-13+.
What are the key properties of (E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide?
(E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide has a molecular weight of 319.45 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-naphthalen-1-yl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide is sourced from PubChem (CID 24760772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).