3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide

C18H28N2O — CID 119323094

IUPAC3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1C(NC(=O)CCN)C1CCCC(C)C1
InChIInChI=1S/C18H28N2O/c1-13-6-5-8-15(12-13)18(20-17(21)10-11-19)16-9-4-3-7-14(16)2/h3-4,7,9,13,15,18H,5-6,8,10-12,19H2,1-2H3,(H,20,21)
InChIKeyWZXUKRRGQDEJBS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.33
Rot. Bonds5

About 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide

3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide (PubChem CID 119323094) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
PubChem CID119323094
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1C(NC(=O)CCN)C1CCCC(C)C1
InChIInChI=1S/C18H28N2O/c1-13-6-5-8-15(12-13)18(20-17(21)10-11-19)16-9-4-3-7-14(16)2/h3-4,7,9,13,15,18H,5-6,8,10-12,19H2,1-2H3,(H,20,21)
InChIKeyWZXUKRRGQDEJBS-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide (CID 119323094) is 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide is Cc1ccccc1C(NC(=O)CCN)C1CCCC(C)C1.
What is the InChIKey of 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
The InChIKey is WZXUKRRGQDEJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-6-5-8-15(12-13)18(20-17(21)10-11-19)16-9-4-3-7-14(16)2/h3-4,7,9,13,15,18H,5-6,8,10-12,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide?
3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 119323094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).