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

C16H24BrN3O2 — CID 120500697

IUPAC3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H24BrN3O2/c1-11(12(2)18)16(22)19-9-8-15(21)20(3)10-13-6-4-5-7-14(13)17/h4-7,11-12H,8-10,18H2,1-3H3,(H,19,22)
InChIKeySFHGHFQZNGENCE-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.90
Rot. Bonds7

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

3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide (PubChem CID 120500697) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide
PubChem CID120500697
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H24BrN3O2/c1-11(12(2)18)16(22)19-9-8-15(21)20(3)10-13-6-4-5-7-14(13)17/h4-7,11-12H,8-10,18H2,1-3H3,(H,19,22)
InChIKeySFHGHFQZNGENCE-UHFFFAOYSA-N
XLogP1.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]pentanamide
CID 120562543
N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119780688
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
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
N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]piperidine-4-carboxamide
CID 119321926
N-[(2-bromophenyl)methyl]-3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-methylpropanamide
CID 111808102
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide (CID 120500697) is 3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide is CC(N)C(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of 3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide?
The InChIKey is SFHGHFQZNGENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-11(12(2)18)16(22)19-9-8-15(21)20(3)10-13-6-4-5-7-14(13)17/h4-7,11-12H,8-10,18H2,1-3H3,(H,19,22).
What are the key properties of 3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide?
3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide has a molecular weight of 370.29 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(2-bromophenyl)methyl-methylamino]-3-oxopropyl]-2-methylbutanamide is sourced from PubChem (CID 120500697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).