3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide

C17H26N2O — CID 60963492

IUPAC3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
SMILESCN(CC1CCCCC1)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-19(13-14-8-4-2-5-9-14)17(20)12-16(18)15-10-6-3-7-11-15/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,18H2,1H3
InChIKeyQFDWIFFXWQFEOF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.12
Rot. Bonds5

About 3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide

3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide (PubChem CID 60963492) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
PubChem CID60963492
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
SMILESCN(CC1CCCCC1)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-19(13-14-8-4-2-5-9-14)17(20)12-16(18)15-10-6-3-7-11-15/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,18H2,1H3
InChIKeyQFDWIFFXWQFEOF-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
CID 63324123
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride
CID 119950307
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
3-amino-N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 119950141
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950674
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
3-amino-N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950369
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
CID 61446245

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide (CID 60963492) is 3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide is CN(CC1CCCCC1)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide?
The InChIKey is QFDWIFFXWQFEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(13-14-8-4-2-5-9-14)17(20)12-16(18)15-10-6-3-7-11-15/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,18H2,1H3.
What are the key properties of 3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide?
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 60963492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).