3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide

C23H33NO4 — CID 112837522

IUPAC3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide
SMILESCOc1cc(OC)c(CNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)c(OC)c1
InChIInChI=1S/C23H33NO4/c1-21-8-15-9-22(2,12-21)14-23(10-15,13-21)20(25)24-11-17-18(27-4)6-16(26-3)7-19(17)28-5/h6-7,15H,8-14H2,1-5H3,(H,24,25)
InChIKeyXORZETOIBLXZNM-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.33
Rot. Bonds6

About 3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide

3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide (PubChem CID 112837522) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide
PubChem CID112837522
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Name3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide
SMILESCOc1cc(OC)c(CNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)c(OC)c1
InChIInChI=1S/C23H33NO4/c1-21-8-15-9-22(2,12-21)14-23(10-15,13-21)20(25)24-11-17-18(27-4)6-16(26-3)7-19(17)28-5/h6-7,15H,8-14H2,1-5H3,(H,24,25)
InChIKeyXORZETOIBLXZNM-UHFFFAOYSA-N
XLogP4.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide
CID 112846085
N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 46982222
(3S,5S)-N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98237435
methyl 2-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]acetate
CID 27194648
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide
CID 112843362
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
CID 6468967
2-pyrrolidin-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119733881
N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-2-carboxamide
CID 87006790
(3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98331377
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 115207558

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide (CID 112837522) is 3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide is COc1cc(OC)c(CNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)c(OC)c1.
What is the InChIKey of 3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide?
The InChIKey is XORZETOIBLXZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-21-8-15-9-22(2,12-21)14-23(10-15,13-21)20(25)24-11-17-18(27-4)6-16(26-3)7-19(17)28-5/h6-7,15H,8-14H2,1-5H3,(H,24,25).
What are the key properties of 3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide?
3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 112837522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).