N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide

C22H27N3O3 — CID 113125623

IUPACN-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide
SMILESCCc1cccc(C)c1N(CCC(=O)Nc1cccc(NC(C)=O)c1)C(C)=O
InChIInChI=1S/C22H27N3O3/c1-5-18-9-6-8-15(2)22(18)25(17(4)27)13-12-21(28)24-20-11-7-10-19(14-20)23-16(3)26/h6-11,14H,5,12-13H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyPQSITVALGZTTII-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.90
Rot. Bonds7

About N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide

N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide (PubChem CID 113125623) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide
PubChem CID113125623
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide
SMILESCCc1cccc(C)c1N(CCC(=O)Nc1cccc(NC(C)=O)c1)C(C)=O
InChIInChI=1S/C22H27N3O3/c1-5-18-9-6-8-15(2)22(18)25(17(4)27)13-12-21(28)24-20-11-7-10-19(14-20)23-16(3)26/h6-11,14H,5,12-13H2,1-4H3,(H,23,26)(H,24,28)
InChIKeyPQSITVALGZTTII-UHFFFAOYSA-N
XLogP3.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-ethyl-6-methylanilino)-N-(3-bromophenyl)acetamide
CID 113169547
3-(3-acetamido-N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113131019
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113125511
3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide
CID 113124917
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113169493
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
3-(N-acetyl-2-ethylanilino)-N-(3-chlorophenyl)propanamide
CID 113125262
3-(N-acetyl-2,6-dimethylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113124924
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904
2-(N-acetyl-2,6-diethylanilino)-N-(3-acetylphenyl)acetamide
CID 113170208
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113169512

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide (CID 113125623) is N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide is CCc1cccc(C)c1N(CCC(=O)Nc1cccc(NC(C)=O)c1)C(C)=O.
What is the InChIKey of N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide?
The InChIKey is PQSITVALGZTTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-5-18-9-6-8-15(2)22(18)25(17(4)27)13-12-21(28)24-20-11-7-10-19(14-20)23-16(3)26/h6-11,14H,5,12-13H2,1-4H3,(H,23,26)(H,24,28).
What are the key properties of N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide?
N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide is sourced from PubChem (CID 113125623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).