(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide

C19H25NO2 — CID 42929411

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide
SMILESCC1CCCC(NC(=O)/C=C/c2ccc3c(c2)CCO3)C1C
InChIInChI=1S/C19H25NO2/c1-13-4-3-5-17(14(13)2)20-19(21)9-7-15-6-8-18-16(12-15)10-11-22-18/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,20,21)/b9-7+
InChIKeySPYHDNNZFCMOCO-VQHVLOKHSA-N
MW299.41 g/mol
LogP3.58
Rot. Bonds3

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide (PubChem CID 42929411) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide
PubChem CID42929411
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide
SMILESCC1CCCC(NC(=O)/C=C/c2ccc3c(c2)CCO3)C1C
InChIInChI=1S/C19H25NO2/c1-13-4-3-5-17(14(13)2)20-19(21)9-7-15-6-8-18-16(12-15)10-11-22-18/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,20,21)/b9-7+
InChIKeySPYHDNNZFCMOCO-VQHVLOKHSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ramelteon
CID 208902
Tasimelteon
CID 10220503
N-(2-(1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)propanamide
CID 9881626
Cifea
CID 53238181
N-[2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl]acetamide
CID 10890175
N-[2-(2,2-dimethyl-1,6,7,8-tetrahydrocyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
CID 11044399
N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide
CID 11086940
N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-cyclopropylmethyl}-acetamide
CID 11581340
N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide
CID 11780708
N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-cyclopropylmethyl}-propionamide
CID 20590654
N-[2-(1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)ethyl]acetamide
CID 22004791
N-[2-(7-Phenyl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide
CID 22004862

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide (CID 42929411) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide is CC1CCCC(NC(=O)/C=C/c2ccc3c(c2)CCO3)C1C.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide?
The InChIKey is SPYHDNNZFCMOCO-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13-4-3-5-17(14(13)2)20-19(21)9-7-15-6-8-18-16(12-15)10-11-22-18/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,20,21)/b9-7+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide has a molecular weight of 299.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3-dimethylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 42929411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).