3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide

C16H22N2O2 — CID 113125154

IUPAC3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
SMILESCCc1ccccc1N(CCC(=O)NC1CC1)C(C)=O
InChIInChI=1S/C16H22N2O2/c1-3-13-6-4-5-7-15(13)18(12(2)19)11-10-16(20)17-14-8-9-14/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)
InChIKeySJKBBIACCVVZDC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.27
Rot. Bonds6

About 3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide

3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide (PubChem CID 113125154) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
PubChem CID113125154
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
SMILESCCc1ccccc1N(CCC(=O)NC1CC1)C(C)=O
InChIInChI=1S/C16H22N2O2/c1-3-13-6-4-5-7-15(13)18(12(2)19)11-10-16(20)17-14-8-9-14/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)
InChIKeySJKBBIACCVVZDC-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-ethylphenyl)acetamide
CID 113058350
3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclopropylpropanamide
CID 113132150
3-(N-acetyl-2-ethylanilino)-N-prop-2-enylpropanamide
CID 113125155
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
ethyl 4-[3-(N-acetyl-2-methylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123590
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
CID 113134156
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
3-(N-acetyl-2-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126678
3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
CID 113131068
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
CID 113132158

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide (CID 113125154) is 3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide is CCc1ccccc1N(CCC(=O)NC1CC1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide?
The InChIKey is SJKBBIACCVVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-13-6-4-5-7-15(13)18(12(2)19)11-10-16(20)17-14-8-9-14/h4-7,14H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of 3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide?
3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 113125154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).