N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide

C25H37N3O3 — CID 9168519

IUPACN-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NCC12CC3CC(CC(C3)C1)C2)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C25H37N3O3/c1-3-8-28(16-24(30)27-21-6-4-5-7-22(21)31-2)15-23(29)26-17-25-12-18-9-19(13-25)11-20(10-18)14-25/h4-7,18-20H,3,8-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyVMJWRAACLSLYBL-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.68
Rot. Bonds10

About N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide

N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide (PubChem CID 9168519) has the molecular formula C25H37N3O3 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
PubChem CID9168519
Molecular FormulaC25H37N3O3
Molecular Weight427.59 g/mol
Exact Mass427.28
IUPAC NameN-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NCC12CC3CC(CC(C3)C1)C2)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C25H37N3O3/c1-3-8-28(16-24(30)27-21-6-4-5-7-22(21)31-2)15-23(29)26-17-25-12-18-9-19(13-25)11-20(10-18)14-25/h4-7,18-20H,3,8-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyVMJWRAACLSLYBL-UHFFFAOYSA-N
XLogP3.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide 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-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029544
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9030121
2-[azetidin-3-yl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 66216109
2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40761196
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[(5S,7S)-3-bromo-1-adamantyl]-N-(2-methoxyphenyl)acetamide
CID 98144134
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7874060

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide (CID 9168519) is N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide is CCCN(CC(=O)NCC12CC3CC(CC(C3)C1)C2)CC(=O)Nc1ccccc1OC.
What is the InChIKey of N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
The InChIKey is VMJWRAACLSLYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3/c1-3-8-28(16-24(30)27-21-6-4-5-7-22(21)31-2)15-23(29)26-17-25-12-18-9-19(13-25)11-20(10-18)14-25/h4-7,18-20H,3,8-17H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide?
N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide has a molecular weight of 427.59 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide is sourced from PubChem (CID 9168519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).