3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide

C20H26N2O — CID 109031789

IUPAC3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C20H26N2O/c1-16(2)22(15-18-9-5-4-6-10-18)13-12-20(23)21-19-11-7-8-17(3)14-19/h4-11,14,16H,12-13,15H2,1-3H3,(H,21,23)
InChIKeyBBIZXZHIEDEMIJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.23
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide

3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide (PubChem CID 109031789) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
PubChem CID109031789
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C20H26N2O/c1-16(2)22(15-18-9-5-4-6-10-18)13-12-20(23)21-19-11-7-8-17(3)14-19/h4-11,14,16H,12-13,15H2,1-3H3,(H,21,23)
InChIKeyBBIZXZHIEDEMIJ-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
CID 109031851
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
2-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 30099663
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 24582092
N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 3895122

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide (CID 109031789) is 3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCN(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide?
The InChIKey is BBIZXZHIEDEMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16(2)22(15-18-9-5-4-6-10-18)13-12-20(23)21-19-11-7-8-17(3)14-19/h4-11,14,16H,12-13,15H2,1-3H3,(H,21,23).
What are the key properties of 3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide?
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109031789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).