N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide

C24H33N3O3 — CID 38044635

IUPACN-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H33N3O3/c1-3-27(4-2)22(29)19-6-5-7-20(11-19)26-21(28)15-25-23(30)24-12-16-8-17(13-24)10-18(9-16)14-24/h5-7,11,16-18H,3-4,8-10,12-15H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyFFKOMXYXSAVHQB-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.44
Rot. Bonds7

About N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 38044635) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID38044635
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H33N3O3/c1-3-27(4-2)22(29)19-6-5-7-20(11-19)26-21(28)15-25-23(30)24-12-16-8-17(13-24)10-18(9-16)14-24/h5-7,11,16-18H,3-4,8-10,12-15H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyFFKOMXYXSAVHQB-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 34328308
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
N,N-diethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78913226
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N-[[4-[[3-(dimethylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 32627059
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-[2-[3-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 55864813
N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815120
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide (CID 38044635) is N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is FFKOMXYXSAVHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-3-27(4-2)22(29)19-6-5-7-20(11-19)26-21(28)15-25-23(30)24-12-16-8-17(13-24)10-18(9-16)14-24/h5-7,11,16-18H,3-4,8-10,12-15H2,1-2H3,(H,25,30)(H,26,28).
What are the key properties of N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 38044635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).