2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide

C24H29NO2 — CID 129303069

IUPAC2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide
SMILESCOc1ccc(C)cc1CC1=C(C(=O)NCc2ccc(C)cc2)CCCC1
InChIInChI=1S/C24H29NO2/c1-17-8-11-19(12-9-17)16-25-24(26)22-7-5-4-6-20(22)15-21-14-18(2)10-13-23(21)27-3/h8-14H,4-7,15-16H2,1-3H3,(H,25,26)
InChIKeyABQCKAYSELWQLT-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.04
Rot. Bonds6

About 2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide

2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide (PubChem CID 129303069) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide
PubChem CID129303069
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide
SMILESCOc1ccc(C)cc1CC1=C(C(=O)NCc2ccc(C)cc2)CCCC1
InChIInChI=1S/C24H29NO2/c1-17-8-11-19(12-9-17)16-25-24(26)22-7-5-4-6-20(22)15-21-14-18(2)10-13-23(21)27-3/h8-14H,4-7,15-16H2,1-3H3,(H,25,26)
InChIKeyABQCKAYSELWQLT-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide
CID 129303097
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700
4-[[[2-[(3,5-dimethoxyphenyl)methyl]cyclopentene-1-carbonyl]amino]methyl]benzoic acid
CID 118562079
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 9305214

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide (CID 129303069) is 2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide is COc1ccc(C)cc1CC1=C(C(=O)NCc2ccc(C)cc2)CCCC1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide?
The InChIKey is ABQCKAYSELWQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-17-8-11-19(12-9-17)16-25-24(26)22-7-5-4-6-20(22)15-21-14-18(2)10-13-23(21)27-3/h8-14H,4-7,15-16H2,1-3H3,(H,25,26).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide?
2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 129303069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).