N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide

C14H20BrN3O2 — CID 119739143

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O2/c1-10(9-16-2)14(20)17-8-7-13(19)18-12-5-3-11(15)4-6-12/h3-6,10,16H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWUNCWTKDSUGADI-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.75
Rot. Bonds7

About N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide

N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119739143) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119739143
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O2/c1-10(9-16-2)14(20)17-8-7-13(19)18-12-5-3-11(15)4-6-12/h3-6,10,16H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWUNCWTKDSUGADI-UHFFFAOYSA-N
XLogP1.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
CID 119739150
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
(2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide
CID 52511214
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide
CID 119106516
3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
CID 55765106
N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide
CID 55952611
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide
CID 55952744

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide (CID 119739143) is N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is WUNCWTKDSUGADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-10(9-16-2)14(20)17-8-7-13(19)18-12-5-3-11(15)4-6-12/h3-6,10,16H,7-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 342.24 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119739143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).