N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide

C23H32N2O5 — CID 31340572

IUPACN-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O5/c1-28-18-8-20(30-3)19(29-2)7-17(18)12-24-21(26)13-25-22(27)23-9-14-4-15(10-23)6-16(5-14)11-23/h7-8,14-16H,4-6,9-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyWJAOJRLBGSMTAZ-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.66
Rot. Bonds8

About N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide

N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide (PubChem CID 31340572) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide
PubChem CID31340572
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC NameN-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H32N2O5/c1-28-18-8-20(30-3)19(29-2)7-17(18)12-24-21(26)13-25-22(27)23-9-14-4-15(10-23)6-16(5-14)11-23/h7-8,14-16H,4-6,9-13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyWJAOJRLBGSMTAZ-UHFFFAOYSA-N
XLogP2.66
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 34779349
N-[3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 9483406
2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 64609355
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 46586709
(5-acetyl-2-methoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190646
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690630
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 46450389
N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55724914
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18118534
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190629

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide (CID 31340572) is N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide?
The InChIKey is WJAOJRLBGSMTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-28-18-8-20(30-3)19(29-2)7-17(18)12-24-21(26)13-25-22(27)23-9-14-4-15(10-23)6-16(5-14)11-23/h7-8,14-16H,4-6,9-13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide?
N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 31340572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).