3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide

C23H30N2O2 — CID 113126202

IUPAC3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)N(CC)c1ccccc1)C(C)=O
InChIInChI=1S/C23H30N2O2/c1-5-19-12-11-13-20(6-2)23(19)25(18(4)26)17-16-22(27)24(7-3)21-14-9-8-10-15-21/h8-15H,5-7,16-17H2,1-4H3
InChIKeyLNPDTDBGKDNDPB-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.61
Rot. Bonds8

About 3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide

3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide (PubChem CID 113126202) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide
PubChem CID113126202
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)N(CC)c1ccccc1)C(C)=O
InChIInChI=1S/C23H30N2O2/c1-5-19-12-11-13-20(6-2)23(19)25(18(4)26)17-16-22(27)24(7-3)21-14-9-8-10-15-21/h8-15H,5-7,16-17H2,1-4H3
InChIKeyLNPDTDBGKDNDPB-UHFFFAOYSA-N
XLogP4.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide
CID 113126191
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 113127594
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113125493
3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 113134013
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
3-amino-N-(2,6-diethylphenyl)-N-ethylpropanamide
CID 28795326
3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113130135
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide (CID 113126202) is 3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide is CCc1cccc(CC)c1N(CCC(=O)N(CC)c1ccccc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide?
The InChIKey is LNPDTDBGKDNDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-19-12-11-13-20(6-2)23(19)25(18(4)26)17-16-22(27)24(7-3)21-14-9-8-10-15-21/h8-15H,5-7,16-17H2,1-4H3.
What are the key properties of 3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide?
3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide has a molecular weight of 366.51 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 113126202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).