N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide

C24H33N3O4 — CID 8620904

IUPACN-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O4/c1-27(15-21(28)26-19-3-5-20(31-2)6-4-19)22(29)7-8-25-23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h3-6,16-18H,7-15H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyHFDKUCSHLYMFEK-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.81
Rot. Bonds8

About N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 8620904) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID8620904
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC NameN-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O4/c1-27(15-21(28)26-19-3-5-20(31-2)6-4-19)22(29)7-8-25-23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h3-6,16-18H,7-15H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyHFDKUCSHLYMFEK-UHFFFAOYSA-N
XLogP2.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 42896670
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620754
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 31835828
N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 29295661
S-[4-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56529953
2-cyclopentyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438651
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 31370044
methyl 2-[[2-[4-[3-(adamantane-1-carbonylamino)propanoylamino]phenyl]acetyl]amino]acetate
CID 55781631
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
(1S,8R)-N-(4-methoxyphenyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 935322
N-[3-(3,4-diethoxyanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 16557267

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide (CID 8620904) is N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is HFDKUCSHLYMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-27(15-21(28)26-19-3-5-20(31-2)6-4-19)22(29)7-8-25-23(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h3-6,16-18H,7-15H2,1-2H3,(H,25,30)(H,26,28).
What are the key properties of N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 8620904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).