2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide

C18H26BrN3O2 — CID 55354630

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N(C)Cc1ccccc1Br
InChIInChI=1S/C18H26BrN3O2/c1-13(22(2)12-14-8-6-7-11-16(14)19)17(23)21-18(24)20-15-9-4-3-5-10-15/h6-8,11,13,15H,3-5,9-10,12H2,1-2H3,(H2,20,21,23,24)
InChIKeyIAZZLMAZBWQRDS-UHFFFAOYSA-N
MW396.33 g/mol
LogP3.43
Rot. Bonds5

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

2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide (PubChem CID 55354630) has the molecular formula C18H26BrN3O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
PubChem CID55354630
Molecular FormulaC18H26BrN3O2
Molecular Weight396.33 g/mol
Exact Mass395.12
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N(C)Cc1ccccc1Br
InChIInChI=1S/C18H26BrN3O2/c1-13(22(2)12-14-8-6-7-11-16(14)19)17(23)21-18(24)20-15-9-4-3-5-10-15/h6-8,11,13,15H,3-5,9-10,12H2,1-2H3,(H2,20,21,23,24)
InChIKeyIAZZLMAZBWQRDS-UHFFFAOYSA-N
XLogP3.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide
CID 18094197
N-(cyclohexylcarbamoyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 46631245
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46483737
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(cyclohexylcarbamoyl)propanamide
CID 22110920
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476830
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide (CID 55354630) is 2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide is CC(C(=O)NC(=O)NC1CCCCC1)N(C)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide?
The InChIKey is IAZZLMAZBWQRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O2/c1-13(22(2)12-14-8-6-7-11-16(14)19)17(23)21-18(24)20-15-9-4-3-5-10-15/h6-8,11,13,15H,3-5,9-10,12H2,1-2H3,(H2,20,21,23,24).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide?
2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide has a molecular weight of 396.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide is sourced from PubChem (CID 55354630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).