cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide

C18H24N2O3 — CID 100873540

IUPACcis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCC[C@H](NC(=O)[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C18H24N2O3/c21-16(12-5-2-1-3-6-12)18(23)20-15-8-4-7-13(11-15)17(22)19-14-9-10-14/h1-3,5-6,13-16,21H,4,7-11H2,(H,19,22)(H,20,23)/t13-,15+,16+/m1/s1
InChIKeySYNGQYDEAQPBBX-KBMXLJTQSA-N
MW316.40 g/mol
LogP1.67
Rot. Bonds5

About cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide

cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide (PubChem CID 100873540) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
PubChem CID100873540
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namecis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCC[C@H](NC(=O)[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C18H24N2O3/c21-16(12-5-2-1-3-6-12)18(23)20-15-8-4-7-13(11-15)17(22)19-14-9-10-14/h1-3,5-6,13-16,21H,4,7-11H2,(H,19,22)(H,20,23)/t13-,15+,16+/m1/s1
InChIKeySYNGQYDEAQPBBX-KBMXLJTQSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

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
trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide
CID 97214268
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 71930187
3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716211
N-cyclopropyl-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 82126665
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
N-(2-aminocyclohexyl)-2-hydroxy-2-phenylacetamide
CID 54905053
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylpropanoic acid
CID 75429616
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 139005711

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide (CID 100873540) is cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide is O=C(NC1CC1)[C@@H]1CCC[C@H](NC(=O)[C@@H](O)c2ccccc2)C1.
What is the InChIKey of cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is SYNGQYDEAQPBBX-KBMXLJTQSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16(12-5-2-1-3-6-12)18(23)20-15-8-4-7-13(11-15)17(22)19-14-9-10-14/h1-3,5-6,13-16,21H,4,7-11H2,(H,19,22)(H,20,23)/t13-,15+,16+/m1/s1.
What are the key properties of cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide?
cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 100873540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).