N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide

C17H24N2O3 — CID 113061547

IUPACN-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(=O)c1cccc(N(CCNC(=O)C(C)(C)C)C(C)=O)c1
InChIInChI=1S/C17H24N2O3/c1-12(20)14-7-6-8-15(11-14)19(13(2)21)10-9-18-16(22)17(3,4)5/h6-8,11H,9-10H2,1-5H3,(H,18,22)
InChIKeyUIZBQNPRFNYXLM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide

N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide (PubChem CID 113061547) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide
PubChem CID113061547
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide
SMILESCC(=O)c1cccc(N(CCNC(=O)C(C)(C)C)C(C)=O)c1
InChIInChI=1S/C17H24N2O3/c1-12(20)14-7-6-8-15(11-14)19(13(2)21)10-9-18-16(22)17(3,4)5/h6-8,11H,9-10H2,1-5H3,(H,18,22)
InChIKeyUIZBQNPRFNYXLM-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061599
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061592
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
CID 113059285
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2,2-dimethylpropanamide
CID 113063717
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572
methyl 3-[acetyl-[2-(methoxycarbonylamino)ethyl]amino]benzoate
CID 113061991
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
CID 113059716
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113061619
2-(N,3-diacetylanilino)-N-pentylacetamide
CID 113175445
methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061960

Frequently Asked Questions

What is the IUPAC name of N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide (CID 113061547) is N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide is CC(=O)c1cccc(N(CCNC(=O)C(C)(C)C)C(C)=O)c1.
What is the InChIKey of N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is UIZBQNPRFNYXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(20)14-7-6-8-15(11-14)19(13(2)21)10-9-18-16(22)17(3,4)5/h6-8,11H,9-10H2,1-5H3,(H,18,22).
What are the key properties of N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide?
N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113061547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).