N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide

C26H30N2O3 — CID 8572532

IUPACN-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C26H30N2O3/c1-31-23-8-2-17(3-9-23)16-27-24(29)21-4-6-22(7-5-21)28-25(30)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-9,18-20H,10-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyXZGWXDSCXUVIST-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.78
Rot. Bonds6

About N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide

N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide (PubChem CID 8572532) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
PubChem CID8572532
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C26H30N2O3/c1-31-23-8-2-17(3-9-23)16-27-24(29)21-4-6-22(7-5-21)28-25(30)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-9,18-20H,10-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyXZGWXDSCXUVIST-UHFFFAOYSA-N
XLogP4.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 46586709
(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 935322
N-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]adamantane-1-carboxamide
CID 24684576
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47729435
N-[[4-[2-(methylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide;hydrochloride
CID 119501131
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 48502755
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620904
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 39342660

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide (CID 8572532) is N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide is COc1ccc(CNC(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide?
The InChIKey is XZGWXDSCXUVIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-31-23-8-2-17(3-9-23)16-27-24(29)21-4-6-22(7-5-21)28-25(30)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-9,18-20H,10-16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide?
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 8572532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).