trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide

C13H18N2O — CID 10889384

IUPACtrans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
SMILESN[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,14H2,(H,15,16)/t11-,12-/m1/s1
InChIKeySQQLWOSMRASHRV-VXGBXAGGSA-N
MW218.30 g/mol
LogP2.14
Rot. Bonds2

About trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide

trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide (PubChem CID 10889384) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
PubChem CID10889384
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nametrans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
SMILESN[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,14H2,(H,15,16)/t11-,12-/m1/s1
InChIKeySQQLWOSMRASHRV-VXGBXAGGSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
2-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 64823330
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966
2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823317
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
CID 64822057

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide (CID 10889384) is trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide is N[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide?
The InChIKey is SQQLWOSMRASHRV-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,14H2,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide?
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 10889384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).