2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide

C22H28N2O — CID 70031264

IUPAC2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide
SMILESNCC(=O)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1Cc1ccccc1
InChIInChI=1S/C22H28N2O/c23-16-22(25)24(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)15-18-9-3-1-4-10-18/h1-6,9-12,20-21H,7-8,13-17,23H2/t20-,21+/m0/s1
InChIKeyMYXQQMWAIITPCA-LEWJYISDSA-N
MW336.48 g/mol
LogP3.78
Rot. Bonds6

About 2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide

2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide (PubChem CID 70031264) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide
PubChem CID70031264
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide
SMILESNCC(=O)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1Cc1ccccc1
InChIInChI=1S/C22H28N2O/c23-16-22(25)24(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)15-18-9-3-1-4-10-18/h1-6,9-12,20-21H,7-8,13-17,23H2/t20-,21+/m0/s1
InChIKeyMYXQQMWAIITPCA-LEWJYISDSA-N
XLogP3.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-benzyl-N-(2-benzylcyclohexyl)acetamide
CID 70031263
[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
CID 91447786
6-[[2-[benzyl-(2-benzylcyclohexyl)amino]-2-oxoethyl]carbamoyl]pyrimidine-4-carboxylic acid
CID 70031005
N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide
CID 118558614
N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 118558613
benzyl-[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]carbamic acid
CID 86616309
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
2-amino-N-(2-benzylcyclopentyl)-N-methyl-2-phenylacetamide;hydrochloride
CID 91647289
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
2-amino-N-benzyl-N-[2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 70034048
2-amino-N,N-dibenzylacetamide
CID 11107897
7-amino-N-benzyl-N-cyclohexylheptanamide
CID 119729560

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide?
The IUPAC name of 2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide (CID 70031264) is 2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide.
What is the SMILES notation for 2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide?
The canonical SMILES for 2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide is NCC(=O)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1Cc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide?
The InChIKey is MYXQQMWAIITPCA-LEWJYISDSA-N. The full InChI is InChI=1S/C22H28N2O/c23-16-22(25)24(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)15-18-9-3-1-4-10-18/h1-6,9-12,20-21H,7-8,13-17,23H2/t20-,21+/m0/s1.
What are the key properties of 2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide?
2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide is sourced from PubChem (CID 70031264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).