3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide

C17H26N2O — CID 62877491

IUPAC3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide
SMILESCC1CCCCC1N(C)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-13-8-6-7-11-16(13)19(2)17(20)15(12-18)14-9-4-3-5-10-14/h3-5,9-10,13,15-16H,6-8,11-12,18H2,1-2H3
InChIKeyATWVFEXLOCRWJJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds4

About 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide

3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide (PubChem CID 62877491) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide
PubChem CID62877491
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide
SMILESCC1CCCCC1N(C)C(=O)C(CN)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-13-8-6-7-11-16(13)19(2)17(20)15(12-18)14-9-4-3-5-10-14/h3-5,9-10,13,15-16H,6-8,11-12,18H2,1-2H3
InChIKeyATWVFEXLOCRWJJ-UHFFFAOYSA-N
XLogP2.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylacetamide
CID 104897433
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62879130
3-amino-N-methyl-2-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 119842319
(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
2-[(2-hydroxy-1-phenylethyl)amino]-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 86786786
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662
3-amino-N-methyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
CID 62876627
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878882
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride
CID 119883047
3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide
CID 62877146
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide (CID 62877491) is 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide is CC1CCCCC1N(C)C(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide?
The InChIKey is ATWVFEXLOCRWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-8-6-7-11-16(13)19(2)17(20)15(12-18)14-9-4-3-5-10-14/h3-5,9-10,13,15-16H,6-8,11-12,18H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide?
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide is sourced from PubChem (CID 62877491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).