3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide

C20H25BrN2O — CID 109031851

IUPAC3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(Cc2ccccc2)C(C)C)c(Br)c1
InChIInChI=1S/C20H25BrN2O/c1-15(2)23(14-17-7-5-4-6-8-17)12-11-20(24)22-19-10-9-16(3)13-18(19)21/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyMZBIHSPJIWMOTN-UHFFFAOYSA-N
MW389.34 g/mol
LogP5.00
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide

3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide (PubChem CID 109031851) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
PubChem CID109031851
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC Name3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(Cc2ccccc2)C(C)C)c(Br)c1
InChIInChI=1S/C20H25BrN2O/c1-15(2)23(14-17-7-5-4-6-8-17)12-11-20(24)22-19-10-9-16(3)13-18(19)21/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyMZBIHSPJIWMOTN-UHFFFAOYSA-N
XLogP5.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838636
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide
CID 108947405
N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 113220993
N-(2-bromo-4-methylphenyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 38801147
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide (CID 109031851) is 3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN(Cc2ccccc2)C(C)C)c(Br)c1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide?
The InChIKey is MZBIHSPJIWMOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-15(2)23(14-17-7-5-4-6-8-17)12-11-20(24)22-19-10-9-16(3)13-18(19)21/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of 3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide?
3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide has a molecular weight of 389.34 g/mol, XLogP of 5.00, 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-(2-bromo-4-methylphenyl)propanamide is sourced from PubChem (CID 109031851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).