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

C20H26N2O2 — CID 124860014

IUPACcis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1
InChIInChI=1S/C20H26N2O2/c23-19(21-15-9-10-15)14-7-4-8-16(11-14)22-20(24)18-12-17(18)13-5-2-1-3-6-13/h1-3,5-6,14-18H,4,7-12H2,(H,21,23)(H,22,24)/t14-,16+,17-,18+/m1/s1
InChIKeySSUFBEWHNXIAGC-SPUZQDLCSA-N
MW326.44 g/mol
LogP2.74
Rot. Bonds5

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

cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide (PubChem CID 124860014) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
PubChem CID124860014
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Namecis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1
InChIInChI=1S/C20H26N2O2/c23-19(21-15-9-10-15)14-7-4-8-16(11-14)22-20(24)18-12-17(18)13-5-2-1-3-6-13/h1-3,5-6,14-18H,4,7-12H2,(H,21,23)(H,22,24)/t14-,16+,17-,18+/m1/s1
InChIKeySSUFBEWHNXIAGC-SPUZQDLCSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 71930187
trans-(1R,3R)-N-cyclopropyl-3-[[2-(2-hydroxyphenyl)acetyl]amino]cyclohexane-1-carboxamide
CID 97214268
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
3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716211
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 110625222
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882
(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 100816182
N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 102551990
trans-(1S,2S)-N-(1-methyl-2-oxopiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136582734
cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 97457906
2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978629

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide (CID 124860014) is cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide is O=C(NC1CC1)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1.
What is the InChIKey of cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
The InChIKey is SSUFBEWHNXIAGC-SPUZQDLCSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(21-15-9-10-15)14-7-4-8-16(11-14)22-20(24)18-12-17(18)13-5-2-1-3-6-13/h1-3,5-6,14-18H,4,7-12H2,(H,21,23)(H,22,24)/t14-,16+,17-,18+/m1/s1.
What are the key properties of cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 124860014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).