4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide

C16H24BrN3O2 — CID 120562543

IUPAC4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide
SMILESCC(N)CCC(=O)NCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H24BrN3O2/c1-12(18)7-8-15(21)19-10-9-16(22)20(2)11-13-5-3-4-6-14(13)17/h3-6,12H,7-11,18H2,1-2H3,(H,19,21)
InChIKeyOAPCCNGMWXSZSB-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.04
Rot. Bonds8

About 4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide

4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide (PubChem CID 120562543) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide
PubChem CID120562543
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide
SMILESCC(N)CCC(=O)NCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H24BrN3O2/c1-12(18)7-8-15(21)19-10-9-16(22)20(2)11-13-5-3-4-6-14(13)17/h3-6,12H,7-11,18H2,1-2H3,(H,19,21)
InChIKeyOAPCCNGMWXSZSB-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 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 ≤ 52.04
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
N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119780688
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
2-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 17481192
N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide
CID 119321926
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(2-bromophenyl)methyl]-3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-methylpropanamide
CID 111808102
N-[(2-bromophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
CID 111488423
N-[4-[(2-bromophenyl)methyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46429667

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide?
The IUPAC name of 4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide (CID 120562543) is 4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide?
The canonical SMILES for 4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide is CC(N)CCC(=O)NCCC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of 4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide?
The InChIKey is OAPCCNGMWXSZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-12(18)7-8-15(21)19-10-9-16(22)20(2)11-13-5-3-4-6-14(13)17/h3-6,12H,7-11,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide?
4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide has a molecular weight of 370.29 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide is sourced from PubChem (CID 120562543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).