trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide

C18H24N2O2 — CID 124779575

IUPACtrans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
SMILESCc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C(N)=O
InChIInChI=1S/C18H24N2O2/c1-11-6-2-3-7-12(11)14-10-15(14)18(22)20-16-9-5-4-8-13(16)17(19)21/h2-3,6-7,13-16H,4-5,8-10H2,1H3,(H2,19,21)(H,20,22)/t13-,14+,15+,16-/m1/s1
InChIKeyMFGYKMKTPSIHEU-FXUDXRNXSA-N
MW300.40 g/mol
LogP2.26
Rot. Bonds4

About trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide

trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide (PubChem CID 124779575) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
PubChem CID124779575
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Nametrans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
SMILESCc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C(N)=O
InChIInChI=1S/C18H24N2O2/c1-11-6-2-3-7-12(11)14-10-15(14)18(22)20-16-9-5-4-8-13(16)17(19)21/h2-3,6-7,13-16H,4-5,8-10H2,1H3,(H2,19,21)(H,20,22)/t13-,14+,15+,16-/m1/s1
InChIKeyMFGYKMKTPSIHEU-FXUDXRNXSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119611682
N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 71930187
2-(2-methylphenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453095
(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124734322
trans-(1R,2R)-2-(2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 167824410
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223
2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
CID 119137675
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 120569043
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119503238
trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide
CID 102212864
cis-methyl (1R,2S)-2-[[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]cycloheptane-1-carboxylate
CID 124840608

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide (CID 124779575) is trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide is Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C(N)=O.
What is the InChIKey of trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
The InChIKey is MFGYKMKTPSIHEU-FXUDXRNXSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-6-2-3-7-12(11)14-10-15(14)18(22)20-16-9-5-4-8-13(16)17(19)21/h2-3,6-7,13-16H,4-5,8-10H2,1H3,(H2,19,21)(H,20,22)/t13-,14+,15+,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide?
trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 124779575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).