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

C16H24BrN3O2 — CID 119780688

IUPACN-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H24BrN3O2/c1-12(10-18-2)16(22)19-9-8-15(21)20(3)11-13-6-4-5-7-14(13)17/h4-7,12,18H,8-11H2,1-3H3,(H,19,22)
InChIKeyZWRLKPZRPHDUSS-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.77
Rot. Bonds8

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

N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119780688) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119780688
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC NameN-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H24BrN3O2/c1-12(10-18-2)16(22)19-9-8-15(21)20(3)11-13-6-4-5-7-14(13)17/h4-7,12,18H,8-11H2,1-3H3,(H,19,22)
InChIKeyZWRLKPZRPHDUSS-UHFFFAOYSA-N
XLogP1.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide
CID 120500697
4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide
CID 120562543
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide
CID 119321926
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
2-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 17481192
N-[4-[(2-bromophenyl)methyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46429667
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
N-[(2-bromophenyl)methyl]-3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-methylpropanamide
CID 111808102

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide (CID 119780688) is N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is ZWRLKPZRPHDUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-12(10-18-2)16(22)19-9-8-15(21)20(3)11-13-6-4-5-7-14(13)17/h4-7,12,18H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide?
N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 370.29 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119780688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).