N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide

C24H33N3O4 — CID 42896670

IUPACN-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C(C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O4/c1-15(25-23(30)24-11-16-8-17(12-24)10-18(9-16)13-24)22(29)27(2)14-21(28)26-19-4-6-20(31-3)7-5-19/h4-7,15-18H,8-14H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyGOJMPOFMEPYMPD-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.81
Rot. Bonds7

About N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide

N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide (PubChem CID 42896670) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide
PubChem CID42896670
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC NameN-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C(C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O4/c1-15(25-23(30)24-11-16-8-17(12-24)10-18(9-16)13-24)22(29)27(2)14-21(28)26-19-4-6-20(31-3)7-5-19/h4-7,15-18H,8-14H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyGOJMPOFMEPYMPD-UHFFFAOYSA-N
XLogP2.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide 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-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620904
2-cyclopentyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438651
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide
CID 3487496
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619
N-[1-(4-methylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 5229641
(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 935322
2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 8512864
N-[(2R)-1-(4-iodoanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 29404544
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
N-[(2S)-1-[4-(cyanomethyl)anilino]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9260626
N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 29295661

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide (CID 42896670) is N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)C(C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The InChIKey is GOJMPOFMEPYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-15(25-23(30)24-11-16-8-17(12-24)10-18(9-16)13-24)22(29)27(2)14-21(28)26-19-4-6-20(31-3)7-5-19/h4-7,15-18H,8-14H2,1-3H3,(H,25,30)(H,26,28).
What are the key properties of N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 42896670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).