trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide

C18H17NO4 — CID 119050592

IUPACtrans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc2c1OCCO2)[C@H]1C[C@@H]1c1cccc(O)c1
InChIInChI=1S/C18H17NO4/c20-12-4-1-3-11(9-12)13-10-14(13)18(21)19-15-5-2-6-16-17(15)23-8-7-22-16/h1-6,9,13-14,20H,7-8,10H2,(H,19,21)/t13-,14+/m1/s1
InChIKeyKMXDTTUNBGSAFV-KGLIPLIRSA-N
MW311.34 g/mol
LogP2.91
Rot. Bonds3

About trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide (PubChem CID 119050592) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide
PubChem CID119050592
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nametrans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc2c1OCCO2)[C@H]1C[C@@H]1c1cccc(O)c1
InChIInChI=1S/C18H17NO4/c20-12-4-1-3-11(9-12)13-10-14(13)18(21)19-15-5-2-6-16-17(15)23-8-7-22-16/h1-6,9,13-14,20H,7-8,10H2,(H,19,21)/t13-,14+/m1/s1
InChIKeyKMXDTTUNBGSAFV-KGLIPLIRSA-N
XLogP2.91
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-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-aminophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 119422715
cis-(1S,2R)-N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564797
trans-(1R,2R)-N-(2-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 124588385
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119298931
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 119618941
(1R,2S,3R,4R)-3-(2,3-dihydro-1,4-benzodioxin-5-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98463451
trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide
CID 138021994
3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119740865
9-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986921
cis-(1R,2S)-N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564776
cis-(1R,3S)-3-(2,3-dihydro-1,4-benzodioxin-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066114

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide (CID 119050592) is trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide is O=C(Nc1cccc2c1OCCO2)[C@H]1C[C@@H]1c1cccc(O)c1.
What is the InChIKey of trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is KMXDTTUNBGSAFV-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H17NO4/c20-12-4-1-3-11(9-12)13-10-14(13)18(21)19-15-5-2-6-16-17(15)23-8-7-22-16/h1-6,9,13-14,20H,7-8,10H2,(H,19,21)/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3-hydroxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119050592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).