N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide

C17H24N2O3 — CID 113061635

IUPACN-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)c1ccc(N(CCNC(=O)CC(C)C)C(C)=O)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)11-17(22)18-9-10-19(14(4)21)16-7-5-15(6-8-16)13(3)20/h5-8,12H,9-11H2,1-4H3,(H,18,22)
InChIKeyWRSJXDLCITXBPJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.40
Rot. Bonds7

About N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide

N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide (PubChem CID 113061635) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide
PubChem CID113061635
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)c1ccc(N(CCNC(=O)CC(C)C)C(C)=O)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)11-17(22)18-9-10-19(14(4)21)16-7-5-15(6-8-16)13(3)20/h5-8,12H,9-11H2,1-4H3,(H,18,22)
InChIKeyWRSJXDLCITXBPJ-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide
CID 113060337
N-[2-(N,4-diacetylanilino)ethyl]acetamide
CID 113061629
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
CID 113057868
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
CID 113064598
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
CID 113061688
N-[2-(N,4-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061683
N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113061694
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690

Frequently Asked Questions

What is the IUPAC name of N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide (CID 113061635) is N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide is CC(=O)c1ccc(N(CCNC(=O)CC(C)C)C(C)=O)cc1.
What is the InChIKey of N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide?
The InChIKey is WRSJXDLCITXBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)11-17(22)18-9-10-19(14(4)21)16-7-5-15(6-8-16)13(3)20/h5-8,12H,9-11H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide?
N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide has a molecular weight of 304.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113061635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).