N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

C28H34N2O4 — CID 46586709

IUPACN-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1
InChIInChI=1S/C28H34N2O4/c1-33-24-8-7-23(25(12-24)34-2)17-29-26(31)22-5-3-18(4-6-22)16-30-27(32)28-13-19-9-20(14-28)11-21(10-19)15-28/h3-8,12,19-21H,9-11,13-17H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyRYTQMORCDBRNOM-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.47
Rot. Bonds8

About N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide (PubChem CID 46586709) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
PubChem CID46586709
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC NameN-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1
InChIInChI=1S/C28H34N2O4/c1-33-24-8-7-23(25(12-24)34-2)17-29-26(31)22-5-3-18(4-6-22)16-30-27(32)28-13-19-9-20(14-28)11-21(10-19)15-28/h3-8,12,19-21H,9-11,13-17H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyRYTQMORCDBRNOM-UHFFFAOYSA-N
XLogP4.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[[4-[2-(methylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide;hydrochloride
CID 119501131
3-[(2,4-dimethoxyphenyl)methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 129244426
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
4-[[[N-[(2,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111880054
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324808
N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide
CID 31340572
N-[[4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 23108917
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide (CID 46586709) is N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide is COc1ccc(CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1.
What is the InChIKey of N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is RYTQMORCDBRNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-33-24-8-7-23(25(12-24)34-2)17-29-26(31)22-5-3-18(4-6-22)16-30-27(32)28-13-19-9-20(14-28)11-21(10-19)15-28/h3-8,12,19-21H,9-11,13-17H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide?
N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 46586709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).