2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide

C16H24N2O — CID 99991856

IUPAC2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
SMILESCc1ccc(N)c(CC(=O)N[C@@H]2CCC[C@@H](C)C2)c1
InChIInChI=1S/C16H24N2O/c1-11-4-3-5-14(9-11)18-16(19)10-13-8-12(2)6-7-15(13)17/h6-8,11,14H,3-5,9-10,17H2,1-2H3,(H,18,19)/t11-,14-/m1/s1
InChIKeyKACMFYBTMSBKNM-BXUZGUMPSA-N
MW260.38 g/mol
LogP2.81
Rot. Bonds3

About 2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide

2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide (PubChem CID 99991856) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
PubChem CID99991856
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
SMILESCc1ccc(N)c(CC(=O)N[C@@H]2CCC[C@@H](C)C2)c1
InChIInChI=1S/C16H24N2O/c1-11-4-3-5-14(9-11)18-16(19)10-13-8-12(2)6-7-15(13)17/h6-8,11,14H,3-5,9-10,17H2,1-2H3,(H,18,19)/t11-,14-/m1/s1
InChIKeyKACMFYBTMSBKNM-BXUZGUMPSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide (CID 99991856) is 2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide is Cc1ccc(N)c(CC(=O)N[C@@H]2CCC[C@@H](C)C2)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The InChIKey is KACMFYBTMSBKNM-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-4-3-5-14(9-11)18-16(19)10-13-8-12(2)6-7-15(13)17/h6-8,11,14H,3-5,9-10,17H2,1-2H3,(H,18,19)/t11-,14-/m1/s1.
What are the key properties of 2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 99991856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).