(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride

C16H25ClN2O — CID 119042549

IUPAC(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
SMILESC[C@@H](N)C(=O)N(Cc1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13(17)16(19)18(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2,4-5,8-9,13,15H,3,6-7,10-12,17H2,1H3;1H/t13-;/m1./s1
InChIKeyBTUBZMCXWVUMLL-BTQNPOSSSA-N
MW296.84 g/mol
LogP3.12
Rot. Bonds4

About (2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride

(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride (PubChem CID 119042549) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
PubChem CID119042549
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
SMILESC[C@@H](N)C(=O)N(Cc1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-13(17)16(19)18(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2,4-5,8-9,13,15H,3,6-7,10-12,17H2,1H3;1H/t13-;/m1./s1
InChIKeyBTUBZMCXWVUMLL-BTQNPOSSSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119273120
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
CID 56831881
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
CID 99704867
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
CID 91447786

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride (CID 119042549) is (2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride is C[C@@H](N)C(=O)N(Cc1ccccc1)C1CCCCC1.Cl.
What is the InChIKey of (2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride?
The InChIKey is BTUBZMCXWVUMLL-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-13(17)16(19)18(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;/h2,4-5,8-9,13,15H,3,6-7,10-12,17H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride?
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride is sourced from PubChem (CID 119042549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).