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

C17H26N2O2 — CID 113057868

IUPACN-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)10-17(21)18-8-9-19(15(5)20)16-7-6-13(3)14(4)11-16/h6-7,11-12H,8-10H2,1-5H3,(H,18,21)
InChIKeyZHIFYIYCNPUULT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.82
Rot. Bonds6

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

N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide (PubChem CID 113057868) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
PubChem CID113057868
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)10-17(21)18-8-9-19(15(5)20)16-7-6-13(3)14(4)11-16/h6-7,11-12H,8-10H2,1-5H3,(H,18,21)
InChIKeyZHIFYIYCNPUULT-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
CID 113064598
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide
CID 113060337
N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide
CID 113061635
3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
CID 113124465
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide
CID 113124461
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061222
3-(N-acetyl-3-chloro-4-methylanilino)-N-(3-methylbutyl)propanamide
CID 113128018

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide (CID 113057868) is N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide is CC(=O)N(CCNC(=O)CC(C)C)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide?
The InChIKey is ZHIFYIYCNPUULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)10-17(21)18-8-9-19(15(5)20)16-7-6-13(3)14(4)11-16/h6-7,11-12H,8-10H2,1-5H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide?
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113057868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).