2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide

C24H29NO2 — CID 129303097

IUPAC2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide
SMILESCOc1cc(C)cc(CC2=C(C(=O)NCc3ccc(C)cc3)CCCC2)c1
InChIInChI=1S/C24H29NO2/c1-17-8-10-19(11-9-17)16-25-24(26)23-7-5-4-6-21(23)14-20-12-18(2)13-22(15-20)27-3/h8-13,15H,4-7,14,16H2,1-3H3,(H,25,26)
InChIKeyMWFKINDTBKDWTG-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.04
Rot. Bonds6

About 2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide

2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide (PubChem CID 129303097) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound Name2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide
PubChem CID129303097
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide
SMILESCOc1cc(C)cc(CC2=C(C(=O)NCc3ccc(C)cc3)CCCC2)c1
InChIInChI=1S/C24H29NO2/c1-17-8-10-19(11-9-17)16-25-24(26)23-7-5-4-6-21(23)14-20-12-18(2)13-22(15-20)27-3/h8-13,15H,4-7,14,16H2,1-3H3,(H,25,26)
InChIKeyMWFKINDTBKDWTG-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

4-[[[2-[(3,5-dimethoxyphenyl)methyl]cyclopentene-1-carbonyl]amino]methyl]benzoic acid
CID 118562079
2-[(2-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide
CID 129303069
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide
CID 162417748
5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide
CID 167787930
3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 135139103
N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide
CID 120705320
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 58981626
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551185
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide?
The IUPAC name of 2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide (CID 129303097) is 2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide.
What is the SMILES notation for 2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide?
The canonical SMILES for 2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide is COc1cc(C)cc(CC2=C(C(=O)NCc3ccc(C)cc3)CCCC2)c1.
What is the InChIKey of 2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide?
The InChIKey is MWFKINDTBKDWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-17-8-10-19(11-9-17)16-25-24(26)23-7-5-4-6-21(23)14-20-12-18(2)13-22(15-20)27-3/h8-13,15H,4-7,14,16H2,1-3H3,(H,25,26).
What are the key properties of 2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide?
2-[(3-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-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 129303097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).