2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide

C17H26N2O — CID 64732718

IUPAC2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
SMILESCC1CC(C)CC(NC(=O)C(N)Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-12-8-13(2)10-15(9-12)19-17(20)16(18)11-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11,18H2,1-2H3,(H,19,20)
InChIKeySINIDMXPYBINHK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.50
Rot. Bonds4

About 2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide

2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide (PubChem CID 64732718) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
PubChem CID64732718
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
SMILESCC1CC(C)CC(NC(=O)C(N)Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-12-8-13(2)10-15(9-12)19-17(20)16(18)11-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11,18H2,1-2H3,(H,19,20)
InChIKeySINIDMXPYBINHK-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2S)-2-amino-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-phenylpropanamide
CID 124693344
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
CID 103795240
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide (CID 64732718) is 2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide is CC1CC(C)CC(NC(=O)C(N)Cc2ccccc2)C1.
What is the InChIKey of 2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide?
The InChIKey is SINIDMXPYBINHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-13(2)10-15(9-12)19-17(20)16(18)11-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide?
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide is sourced from PubChem (CID 64732718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).