trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide

C23H27NO2 — CID 97248670

IUPACtrans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESC[C@@H]1C[C@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CCC1=O
InChIInChI=1S/C23H27NO2/c1-18-16-21(12-13-22(18)25)23(26)24(17-20-10-6-3-7-11-20)15-14-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3/t18-,21-/m1/s1
InChIKeyAOEFYOVXEYHLLG-WIYYLYMNSA-N
MW349.47 g/mol
LogP4.26
Rot. Bonds6

About trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide

trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 97248670) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide
PubChem CID97248670
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Nametrans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESC[C@@H]1C[C@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CCC1=O
InChIInChI=1S/C23H27NO2/c1-18-16-21(12-13-22(18)25)23(26)24(17-20-10-6-3-7-11-20)15-14-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3/t18-,21-/m1/s1
InChIKeyAOEFYOVXEYHLLG-WIYYLYMNSA-N
XLogP4.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
CID 112791258
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
4-(dibenzylamino)-2-methylcyclohexan-1-one
CID 77201422
trans-(2R,4R)-4-(dibenzylamino)-2-methylcyclohexan-1-one
CID 66937152
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-benzyl-1-[(2-hydroxyphenyl)methyl]-N-(2-phenylethyl)piperidin-1-ium-4-carboxamide
CID 7299697
N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CID 42698365
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119691845
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide (CID 97248670) is trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide is C[C@@H]1C[C@H](C(=O)N(CCc2ccccc2)Cc2ccccc2)CCC1=O.
What is the InChIKey of trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide?
The InChIKey is AOEFYOVXEYHLLG-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H27NO2/c1-18-16-21(12-13-22(18)25)23(26)24(17-20-10-6-3-7-11-20)15-14-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3/t18-,21-/m1/s1.
What are the key properties of trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide?
trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 349.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-benzyl-3-methyl-4-oxo-N-(2-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 97248670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).