trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide

C18H24N2O3 — CID 97214268

IUPACtrans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1ccccc1O)N[C@@H]1CCC[C@@H](C(=O)NC2CC2)C1
InChIInChI=1S/C18H24N2O3/c21-16-7-2-1-4-12(16)11-17(22)19-15-6-3-5-13(10-15)18(23)20-14-8-9-14/h1-2,4,7,13-15,21H,3,5-6,8-11H2,(H,19,22)(H,20,23)/t13-,15-/m1/s1
InChIKeyYWDJMTGOGKKEJO-UKRRQHHQSA-N
MW316.40 g/mol
LogP1.89
Rot. Bonds5

About trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide

trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 97214268) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID97214268
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametrans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide
SMILESO=C(Cc1ccccc1O)N[C@@H]1CCC[C@@H](C(=O)NC2CC2)C1
InChIInChI=1S/C18H24N2O3/c21-16-7-2-1-4-12(16)11-17(22)19-15-6-3-5-13(10-15)18(23)20-14-8-9-14/h1-2,4,7,13-15,21H,3,5-6,8-11H2,(H,19,22)(H,20,23)/t13-,15-/m1/s1
InChIKeyYWDJMTGOGKKEJO-UKRRQHHQSA-N
XLogP1.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-(2-hydroxyphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114546911
cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
CID 100873540
trans-(1R,3R)-N-cyclopropyl-3-[[(2R)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
CID 124739605
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
3-(2-hydroxyphenyl)-N-(3-methylcyclohexyl)propanamide
CID 47161541
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(2-hydroxyphenyl)acetamide
CID 97014157
N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 71930187
N-[(1S,3S)-3-(cyclopropylcarbamoyl)cyclohexyl]-5-fluoro-2-hydroxybenzamide
CID 96562007
3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 31061764
3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716211

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide (CID 97214268) is trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide is O=C(Cc1ccccc1O)N[C@@H]1CCC[C@@H](C(=O)NC2CC2)C1.
What is the InChIKey of trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is YWDJMTGOGKKEJO-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16-7-2-1-4-12(16)11-17(22)19-15-6-3-5-13(10-15)18(23)20-14-8-9-14/h1-2,4,7,13-15,21H,3,5-6,8-11H2,(H,19,22)(H,20,23)/t13-,15-/m1/s1.
What are the key properties of trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide?
trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 97214268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).