3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide

C16H21N3O3 — CID 113131068

IUPAC3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)NC2CC2)C(C)=O)cc1
InChIInChI=1S/C16H21N3O3/c1-11(20)17-13-5-7-15(8-6-13)19(12(2)21)10-9-16(22)18-14-3-4-14/h5-8,14H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyNPMDOPIBLIJTKW-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.67
Rot. Bonds6

About 3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide

3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide (PubChem CID 113131068) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
PubChem CID113131068
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
SMILESCC(=O)Nc1ccc(N(CCC(=O)NC2CC2)C(C)=O)cc1
InChIInChI=1S/C16H21N3O3/c1-11(20)17-13-5-7-15(8-6-13)19(12(2)21)10-9-16(22)18-14-3-4-14/h5-8,14H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyNPMDOPIBLIJTKW-UHFFFAOYSA-N
XLogP1.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide
CID 113131124
2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide
CID 113176819
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
3-(4-acetamido-N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113131139
ethyl 4-[acetyl-[3-(cyclohexylamino)-3-oxopropyl]amino]benzoate
CID 113133307
N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131128
3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
CID 113134156
3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
CID 113125154
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
CID 113132978
3-(N-acetyl-3,5-dichloroanilino)-N-cyclopentylpropanamide
CID 113134055

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide (CID 113131068) is 3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide is CC(=O)Nc1ccc(N(CCC(=O)NC2CC2)C(C)=O)cc1.
What is the InChIKey of 3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide?
The InChIKey is NPMDOPIBLIJTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(20)17-13-5-7-15(8-6-13)19(12(2)21)10-9-16(22)18-14-3-4-14/h5-8,14H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of 3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide?
3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide has a molecular weight of 303.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 113131068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).