N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide

C22H30N2O2 — CID 8570754

IUPACN-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
SMILESCCc1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O2/c1-2-18-5-3-4-6-19(18)24-20(25)7-8-23-21(26)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyDFKHRWMYHMJQHP-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.91
Rot. Bonds6

About N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide

N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 8570754) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
PubChem CID8570754
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
SMILESCCc1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O2/c1-2-18-5-3-4-6-19(18)24-20(25)7-8-23-21(26)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyDFKHRWMYHMJQHP-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-iodoanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 17490902
methyl 3-[3-(adamantane-1-carbonylamino)propanoylamino]thiophene-2-carboxylate
CID 36670376
N-[2-(2-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide
CID 51185847
3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide
CID 55780167
N-[3-[3-(methylcarbamoylamino)anilino]-3-oxopropyl]adamantane-1-carboxamide
CID 36825652
N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 55907325
3-(cyclopropylamino)-N-(2-ethylphenyl)propanamide
CID 60842650
N-[3-(3,4-diethoxyanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 16557267
N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55860381
N-[3-(2-methyl-4-pyrrolidin-1-ylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 42038913
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide
CID 108934228
[1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(adamantane-1-carbonylamino)propanoate
CID 42915934

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide (CID 8570754) is N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide is CCc1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is DFKHRWMYHMJQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-18-5-3-4-6-19(18)24-20(25)7-8-23-21(26)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide?
N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 8570754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).