3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide

C23H30N2O3 — CID 113126214

IUPAC3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)Nc1cc(C)ccc1OC)C(C)=O
InChIInChI=1S/C23H30N2O3/c1-6-18-9-8-10-19(7-2)23(18)25(17(4)26)14-13-22(27)24-20-15-16(3)11-12-21(20)28-5/h8-12,15H,6-7,13-14H2,1-5H3,(H,24,27)
InChIKeyMXUYKTJQRBDERH-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.51
Rot. Bonds8

About 3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide

3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 113126214) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID113126214
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)Nc1cc(C)ccc1OC)C(C)=O
InChIInChI=1S/C23H30N2O3/c1-6-18-9-8-10-19(7-2)23(18)25(17(4)26)14-13-22(27)24-20-15-16(3)11-12-21(20)28-5/h8-12,15H,6-7,13-14H2,1-5H3,(H,24,27)
InChIKeyMXUYKTJQRBDERH-UHFFFAOYSA-N
XLogP4.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetamido-N-acetylanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113131170
3-(N-acetyl-2,6-dimethylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113124925
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113121303
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113130389
3-(N-acetyl-2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113133925
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113169517
3-(N-acetyl-2,6-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124897
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide (CID 113126214) is 3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide is CCc1cccc(CC)c1N(CCC(=O)Nc1cc(C)ccc1OC)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is MXUYKTJQRBDERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-18-9-8-10-19(7-2)23(18)25(17(4)26)14-13-22(27)24-20-15-16(3)11-12-21(20)28-5/h8-12,15H,6-7,13-14H2,1-5H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide?
3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 382.50 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-diethylanilino)-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 113126214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).