N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide

C25H29NO3 — CID 90600227

IUPACN-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide
SMILESCOC1(CNC(=O)c2ccccc2Oc2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H29NO3/c1-28-25(19-12-17-11-18(14-19)15-20(25)13-17)16-26-24(27)22-9-5-6-10-23(22)29-21-7-3-2-4-8-21/h2-10,17-20H,11-16H2,1H3,(H,26,27)
InChIKeyLXGVSDSPMFUTGC-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.05
Rot. Bonds6

About N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide

N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide (PubChem CID 90600227) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide
PubChem CID90600227
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide
SMILESCOC1(CNC(=O)c2ccccc2Oc2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C25H29NO3/c1-28-25(19-12-17-11-18(14-19)15-20(25)13-17)16-26-24(27)22-9-5-6-10-23(22)29-21-7-3-2-4-8-21/h2-10,17-20H,11-16H2,1H3,(H,26,27)
InChIKeyLXGVSDSPMFUTGC-UHFFFAOYSA-N
XLogP5.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624123
N-[(2-methoxy-2-adamantyl)methyl]-2,4-dimethylbenzamide
CID 90624081
N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 72719721
N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide
CID 90624110
2-phenoxy-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 90523291
2-phenoxy-N-phenylbenzamide
CID 3402306
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515
N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
CID 90624340
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenoxybenzamide
CID 90523775
N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide
CID 126830430
2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide
CID 72719733
N-pentan-3-yl-2-phenoxybenzamide
CID 884731

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide (CID 90600227) is N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide is COC1(CNC(=O)c2ccccc2Oc2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide?
The InChIKey is LXGVSDSPMFUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-28-25(19-12-17-11-18(14-19)15-20(25)13-17)16-26-24(27)22-9-5-6-10-23(22)29-21-7-3-2-4-8-21/h2-10,17-20H,11-16H2,1H3,(H,26,27).
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide?
N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide has a molecular weight of 391.51 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide is sourced from PubChem (CID 90600227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).