3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide

C17H26N2O2 — CID 113124355

IUPAC3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(C(C)=O)c1cc(C)ccc1C
InChIInChI=1S/C17H26N2O2/c1-6-18(7-2)17(21)10-11-19(15(5)20)16-12-13(3)8-9-14(16)4/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyVPDZYWSRIRFPNW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.91
Rot. Bonds6

About 3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide

3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide (PubChem CID 113124355) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide
PubChem CID113124355
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(C(C)=O)c1cc(C)ccc1C
InChIInChI=1S/C17H26N2O2/c1-6-18(7-2)17(21)10-11-19(15(5)20)16-12-13(3)8-9-14(16)4/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyVPDZYWSRIRFPNW-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide
CID 113128676
3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide
CID 113123613
3-(N-acetyl-2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113124315
3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide
CID 113124190
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
3-(N-acetyl-2,5-dimethylanilino)-N-cyclopentylpropanamide
CID 113124295
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
3-(N-acetyl-2,5-dimethylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113124393
N-(2,5-dimethylphenyl)-N-ethylcarbamate
CID 57353487
N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide
CID 78853870
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
CID 113057769

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide?
The IUPAC name of 3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide (CID 113124355) is 3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCN(C(C)=O)c1cc(C)ccc1C.
What is the InChIKey of 3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide?
The InChIKey is VPDZYWSRIRFPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-18(7-2)17(21)10-11-19(15(5)20)16-12-13(3)8-9-14(16)4/h8-9,12H,6-7,10-11H2,1-5H3.
What are the key properties of 3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide?
3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 113124355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).