(1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide

C18H23NO2 — CID 100692970

IUPAC(1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide
SMILESC[C@H](Cc1ccc2c(c1)CCO2)NC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C18H23NO2/c1-13(19-18(20)15-5-3-2-4-6-15)11-14-7-8-17-16(12-14)9-10-21-17/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3,(H,19,20)/t13-,15-/m1/s1
InChIKeyWYXWRJGHODQYPD-UKRRQHHQSA-N
MW285.39 g/mol
LogP3.03
Rot. Bonds4

About (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide

(1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 100692970) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID100692970
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide
SMILESC[C@H](Cc1ccc2c(c1)CCO2)NC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C18H23NO2/c1-13(19-18(20)15-5-3-2-4-6-15)11-14-7-8-17-16(12-14)9-10-21-17/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3,(H,19,20)/t13-,15-/m1/s1
InChIKeyWYXWRJGHODQYPD-UKRRQHHQSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide 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

N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide
CID 42951851
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
2-chloro-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]benzamide
CID 100691959
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 91813491
1-(1,3-benzodioxol-5-yl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813586
1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
CID 100694624
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide
CID 100692443
1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813585
2-benzylsulfanyl-N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 100692416
1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea
CID 100694552
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(4-methylsulfonylphenyl)propanamide
CID 100693287
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbutanoic acid
CID 116930721

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide (CID 100692970) is (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide is C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is WYXWRJGHODQYPD-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(19-18(20)15-5-3-2-4-6-15)11-14-7-8-17-16(12-14)9-10-21-17/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3,(H,19,20)/t13-,15-/m1/s1.
What are the key properties of (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 100692970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).