3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C23H30N2O2 — CID 113124910

IUPAC3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cccc1C(C)C)c1c(C)cccc1C
InChIInChI=1S/C23H30N2O2/c1-15(2)20-12-8-9-16(3)22(20)24-21(27)13-14-25(19(6)26)23-17(4)10-7-11-18(23)5/h7-12,15H,13-14H2,1-6H3,(H,24,27)
InChIKeyLGMBKYWUGUUNQZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.12
Rot. Bonds6

About 3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 113124910) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID113124910
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cccc1C(C)C)c1c(C)cccc1C
InChIInChI=1S/C23H30N2O2/c1-15(2)20-12-8-9-16(3)22(20)24-21(27)13-14-25(19(6)26)23-17(4)10-7-11-18(23)5/h7-12,15H,13-14H2,1-6H3,(H,24,27)
InChIKeyLGMBKYWUGUUNQZ-UHFFFAOYSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130872
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113135276
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113169502
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113181475
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130022
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130141
3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113118994
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
3-(N-acetyl-2,4,6-trimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113126059
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 113124910) is 3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(C)cccc1C(C)C)c1c(C)cccc1C.
What is the InChIKey of 3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is LGMBKYWUGUUNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-15(2)20-12-8-9-16(3)22(20)24-21(27)13-14-25(19(6)26)23-17(4)10-7-11-18(23)5/h7-12,15H,13-14H2,1-6H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113124910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).