(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide

C17H26N2O — CID 64741348

IUPAC(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1C
InChIInChI=1S/C17H26N2O/c1-12-8-9-15(10-13(12)2)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)/t12?,13?,15?,16-/m1/s1
InChIKeyHJGKAPSRVGIPBJ-NQMHXGEOSA-N
MW274.41 g/mol
LogP2.50
Rot. Bonds4

About (2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide

(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide (PubChem CID 64741348) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
PubChem CID64741348
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1C
InChIInChI=1S/C17H26N2O/c1-12-8-9-15(10-13(12)2)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)/t12?,13?,15?,16-/m1/s1
InChIKeyHJGKAPSRVGIPBJ-NQMHXGEOSA-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

cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
CID 103797412
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide (CID 64741348) is (2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide is CC1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1C.
What is the InChIKey of (2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide?
The InChIKey is HJGKAPSRVGIPBJ-NQMHXGEOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-9-15(10-13(12)2)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)/t12?,13?,15?,16-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide?
(2R)-2-amino-N-(3,4-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 (2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide is sourced from PubChem (CID 64741348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).