3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C25H31NO2 — CID 135139103

IUPAC3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cc(C)cc(CC2C3CCC(C3)C2C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C25H31NO2/c1-16-4-6-18(7-5-16)15-26-25(27)24-21-9-8-20(14-21)23(24)13-19-10-17(2)11-22(12-19)28-3/h4-7,10-12,20-21,23-24H,8-9,13-15H2,1-3H3,(H,26,27)
InChIKeySOBMNQHUDXLDNT-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.83
Rot. Bonds6

About 3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 135139103) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID135139103
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cc(C)cc(CC2C3CCC(C3)C2C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C25H31NO2/c1-16-4-6-18(7-5-16)15-26-25(27)24-21-9-8-20(14-21)23(24)13-19-10-17(2)11-22(12-19)28-3/h4-7,10-12,20-21,23-24H,8-9,13-15H2,1-3H3,(H,26,27)
InChIKeySOBMNQHUDXLDNT-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
(1S,2S,3S,4S)-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557910
(1S,2S,3S,4R)-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11922455
2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide
CID 129303097
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
4-[[[2-[(3,5-dimethoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
CID 118562102
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778
3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103801537
4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
CID 144974031
3-[(4-fluorophenyl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 6470275
(1R,2S,3S,4S)-3-[(4-methylphenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6593008

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 135139103) is 3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is COc1cc(C)cc(CC2C3CCC(C3)C2C(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of 3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is SOBMNQHUDXLDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-16-4-6-18(7-5-16)15-26-25(27)24-21-9-8-20(14-21)23(24)13-19-10-17(2)11-22(12-19)28-3/h4-7,10-12,20-21,23-24H,8-9,13-15H2,1-3H3,(H,26,27).
What are the key properties of 3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 135139103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).