3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide

C23H30N2O2 — CID 113118645

IUPAC3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(Cc1cccc(C)c1)C(C)=O
InChIInChI=1S/C23H30N2O2/c1-5-20-11-8-12-21(6-2)23(20)24-22(27)13-14-25(18(4)26)16-19-10-7-9-17(3)15-19/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,24,27)
InChIKeyNRNNHPQSRFJDBX-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.50
Rot. Bonds8

About 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide (PubChem CID 113118645) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide
PubChem CID113118645
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(Cc1cccc(C)c1)C(C)=O
InChIInChI=1S/C23H30N2O2/c1-5-20-11-8-12-21(6-2)23(20)24-22(27)13-14-25(18(4)26)16-19-10-7-9-17(3)15-19/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,24,27)
InChIKeyNRNNHPQSRFJDBX-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-acetylphenyl)propanamide
CID 113118677
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113117900
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113118743
3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122274
3-(N-acetyl-2,4-dimethylanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113124213
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113118705
3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113117165
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide (CID 113118645) is 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCN(Cc1cccc(C)c1)C(C)=O.
What is the InChIKey of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide?
The InChIKey is NRNNHPQSRFJDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-20-11-8-12-21(6-2)23(20)24-22(27)13-14-25(18(4)26)16-19-10-7-9-17(3)15-19/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,24,27).
What are the key properties of 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide?
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 113118645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).