3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide

C17H25N3O3 — CID 113130989

IUPAC3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
SMILESCC(=O)Nc1cccc(N(CCC(=O)NC(C)(C)C)C(C)=O)c1
InChIInChI=1S/C17H25N3O3/c1-12(21)18-14-7-6-8-15(11-14)20(13(2)22)10-9-16(23)19-17(3,4)5/h6-8,11H,9-10H2,1-5H3,(H,18,21)(H,19,23)
InChIKeyLSYPDIZHFJUBNA-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.30
Rot. Bonds5

About 3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide

3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide (PubChem CID 113130989) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
PubChem CID113130989
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide
SMILESCC(=O)Nc1cccc(N(CCC(=O)NC(C)(C)C)C(C)=O)c1
InChIInChI=1S/C17H25N3O3/c1-12(21)18-14-7-6-8-15(11-14)20(13(2)22)10-9-16(23)19-17(3,4)5/h6-8,11H,9-10H2,1-5H3,(H,18,21)(H,19,23)
InChIKeyLSYPDIZHFJUBNA-UHFFFAOYSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
CID 113131003
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-(N-acetyl-2,6-dichloroanilino)-N-tert-butylpropanamide
CID 113134203
N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
CID 113061754
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide?
The IUPAC name of 3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide (CID 113130989) is 3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide.
What is the SMILES notation for 3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide?
The canonical SMILES for 3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide is CC(=O)Nc1cccc(N(CCC(=O)NC(C)(C)C)C(C)=O)c1.
What is the InChIKey of 3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide?
The InChIKey is LSYPDIZHFJUBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(21)18-14-7-6-8-15(11-14)20(13(2)22)10-9-16(23)19-17(3,4)5/h6-8,11H,9-10H2,1-5H3,(H,18,21)(H,19,23).
What are the key properties of 3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide?
3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide has a molecular weight of 319.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamido-N-acetylanilino)-N-tert-butylpropanamide is sourced from PubChem (CID 113130989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).