2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide

C15H22N2O — CID 28689697

IUPAC2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCC[C@@H](NC(=O)Cc2cccc(N)c2)C1
InChIInChI=1S/C15H22N2O/c1-11-4-2-7-14(8-11)17-15(18)10-12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,2,4,7-8,10,16H2,1H3,(H,17,18)/t11-,14-/m1/s1
InChIKeyJANYZCITEHGONU-BXUZGUMPSA-N
MW246.35 g/mol
LogP2.51
Rot. Bonds3

About 2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide

2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide (PubChem CID 28689697) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
PubChem CID28689697
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCC[C@@H](NC(=O)Cc2cccc(N)c2)C1
InChIInChI=1S/C15H22N2O/c1-11-4-2-7-14(8-11)17-15(18)10-12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,2,4,7-8,10,16H2,1H3,(H,17,18)/t11-,14-/m1/s1
InChIKeyJANYZCITEHGONU-BXUZGUMPSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide
CID 43317757
2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 99991856
2-(3-hydroxyphenyl)-N-(4-methylcycloheptyl)acetamide
CID 102809381
2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689734
(3-methylcyclohexyl) 3-(3-aminophenyl)propanoate
CID 80701584
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
N-(3-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
CID 71786211
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-methylcyclopentyl)acetamide
CID 114549929
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide (CID 28689697) is 2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide is C[C@@H]1CCC[C@@H](NC(=O)Cc2cccc(N)c2)C1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The InChIKey is JANYZCITEHGONU-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-2-7-14(8-11)17-15(18)10-12-5-3-6-13(16)9-12/h3,5-6,9,11,14H,2,4,7-8,10,16H2,1H3,(H,17,18)/t11-,14-/m1/s1.
What are the key properties of 2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 28689697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).