1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium

C20H29N2O3+ — CID 7666342

IUPAC1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC)c1
InChIInChI=1S/C20H28N2O3/c1-24-16-3-4-17(18(8-16)25-2)22-19(23)12-21-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,21H,5-7,9-12H2,1-2H3,(H,22,23)/p+1
InChIKeyYKYHRIFLYYINJZ-UHFFFAOYSA-O
MW345.46 g/mol
LogP2.17
Rot. Bonds6

About 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium

1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium (PubChem CID 7666342) has the molecular formula C20H29N2O3+ and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium
PubChem CID7666342
Molecular FormulaC20H29N2O3+
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(NC(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC)c1
InChIInChI=1S/C20H28N2O3/c1-24-16-3-4-17(18(8-16)25-2)22-19(23)12-21-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,21H,5-7,9-12H2,1-2H3,(H,22,23)/p+1
InChIKeyYKYHRIFLYYINJZ-UHFFFAOYSA-O
XLogP2.17
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 7406588
(5S,7R)-3-bromo-N-(2,4-dimethoxyphenyl)adamantane-1-carboxamide
CID 7698259
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18556175
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327
N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide
CID 5059200

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium (CID 7666342) is 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium is COc1ccc(NC(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC)c1.
What is the InChIKey of 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium?
The InChIKey is YKYHRIFLYYINJZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H28N2O3/c1-24-16-3-4-17(18(8-16)25-2)22-19(23)12-21-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,21H,5-7,9-12H2,1-2H3,(H,22,23)/p+1.
What are the key properties of 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium?
1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium has a molecular weight of 345.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 7666342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).