3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide

C21H28N2O — CID 109019490

IUPAC3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)NCc1cccc(C)c1
InChIInChI=1S/C21H28N2O/c1-4-18-10-7-11-19(5-2)21(18)22-13-12-20(24)23-15-17-9-6-8-16(3)14-17/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,23,24)
InChIKeyAMEGCIVIHCLQOQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.24
Rot. Bonds8

About 3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide

3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 109019490) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID109019490
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)NCc1cccc(C)c1
InChIInChI=1S/C21H28N2O/c1-4-18-10-7-11-19(5-2)21(18)22-13-12-20(24)23-15-17-9-6-8-16(3)14-17/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,23,24)
InChIKeyAMEGCIVIHCLQOQ-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
2-(2-ethyl-6-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996936
3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019541
N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
CID 109019488
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
3-(2-ethyl-6-methylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019154
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019551
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019503

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide (CID 109019490) is 3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide is CCc1cccc(CC)c1NCCC(=O)NCc1cccc(C)c1.
What is the InChIKey of 3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is AMEGCIVIHCLQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-18-10-7-11-19(5-2)21(18)22-13-12-20(24)23-15-17-9-6-8-16(3)14-17/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,23,24).
What are the key properties of 3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide?
3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).