N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide

C20H24BrN3O2 — CID 86879791

IUPACN-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide
SMILESCC(NC(=O)NCCC(=O)N(C)Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C20H24BrN3O2/c1-15(17-10-6-7-11-18(17)21)23-20(26)22-13-12-19(25)24(2)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H2,22,23,26)
InChIKeyUKMZWJFWDANXKW-UHFFFAOYSA-N
MW418.34 g/mol
LogP3.86
Rot. Bonds7

About N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide

N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide (PubChem CID 86879791) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide
PubChem CID86879791
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC NameN-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide
SMILESCC(NC(=O)NCCC(=O)N(C)Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C20H24BrN3O2/c1-15(17-10-6-7-11-18(17)21)23-20(26)22-13-12-19(25)24(2)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H2,22,23,26)
InChIKeyUKMZWJFWDANXKW-UHFFFAOYSA-N
XLogP3.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-3-[(3-methyl-2-phenylbutyl)carbamoylamino]propanamide
CID 86879831
1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 41134387
N-benzyl-N-methyl-3-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]propanamide
CID 110949232
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 33252364
3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide
CID 120500697
N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
CID 86879903
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
CID 35603930
2-[2-[1-(2-bromophenyl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 60577056
N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119780688
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide (CID 86879791) is N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide is CC(NC(=O)NCCC(=O)N(C)Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide?
The InChIKey is UKMZWJFWDANXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-15(17-10-6-7-11-18(17)21)23-20(26)22-13-12-19(25)24(2)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H2,22,23,26).
What are the key properties of N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide?
N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide has a molecular weight of 418.34 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[1-(2-bromophenyl)ethylcarbamoylamino]-N-methylpropanamide is sourced from PubChem (CID 86879791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).