2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide

C17H24BrN3O2 — CID 18094197

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide
SMILESCC(C(=O)NC(=O)NC1CCCC1)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3O2/c1-12(21(2)11-13-7-9-14(18)10-8-13)16(22)20-17(23)19-15-5-3-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H2,19,20,22,23)
InChIKeyIPQNDXKOZCWNTQ-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.04
Rot. Bonds5

About 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide

2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide (PubChem CID 18094197) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide
PubChem CID18094197
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide
SMILESCC(C(=O)NC(=O)NC1CCCC1)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H24BrN3O2/c1-12(21(2)11-13-7-9-14(18)10-8-13)16(22)20-17(23)19-15-5-3-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H2,19,20,22,23)
InChIKeyIPQNDXKOZCWNTQ-UHFFFAOYSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 55354630
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(cyclohexylcarbamoyl)propanamide
CID 22110920
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
CID 25494848
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645
2-[(4-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196382
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46483737

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide (CID 18094197) is 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide is CC(C(=O)NC(=O)NC1CCCC1)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide?
The InChIKey is IPQNDXKOZCWNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-12(21(2)11-13-7-9-14(18)10-8-13)16(22)20-17(23)19-15-5-3-4-6-15/h7-10,12,15H,3-6,11H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide has a molecular weight of 382.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide is sourced from PubChem (CID 18094197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).