N-[(1S,2R)-2-aminocyclohexyl]benzamide

C13H18N2O — CID 15151854

IUPACN-[(1S,2R)-2-aminocyclohexyl]benzamide
SMILESN[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O/c14-11-8-4-5-9-12(11)15-13(16)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
InChIKeyMGHXBZCCOMKWEG-NEPJUHHUSA-N
MW218.30 g/mol
LogP1.69
Rot. Bonds2

About N-[(1S,2R)-2-aminocyclohexyl]benzamide

N-[(1S,2R)-2-aminocyclohexyl]benzamide (PubChem CID 15151854) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(1S,2R)-2-aminocyclohexyl]benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-aminocyclohexyl]benzamide
PubChem CID15151854
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(1S,2R)-2-aminocyclohexyl]benzamide
SMILESN[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O/c14-11-8-4-5-9-12(11)15-13(16)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
InChIKeyMGHXBZCCOMKWEG-NEPJUHHUSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-Propylbenzamide
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Amylase
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AR-M1000390
CID 9841259
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CID 11959
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-aminocyclohexyl]benzamide?
The IUPAC name of N-[(1S,2R)-2-aminocyclohexyl]benzamide (CID 15151854) is N-[(1S,2R)-2-aminocyclohexyl]benzamide.
What is the SMILES notation for N-[(1S,2R)-2-aminocyclohexyl]benzamide?
The canonical SMILES for N-[(1S,2R)-2-aminocyclohexyl]benzamide is N[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-aminocyclohexyl]benzamide?
The InChIKey is MGHXBZCCOMKWEG-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H18N2O/c14-11-8-4-5-9-12(11)15-13(16)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 N-[(1S,2R)-2-aminocyclohexyl]benzamide?
N-[(1S,2R)-2-aminocyclohexyl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-aminocyclohexyl]benzamide is sourced from PubChem (CID 15151854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).