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

C18H27BrN2O — CID 4883221

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H27BrN2O/c1-14(18(22)20-12-15-6-4-3-5-7-15)21(2)13-16-8-10-17(19)11-9-16/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,20,22)
InChIKeyQJCHHMVRPCRHFA-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.97
Rot. Bonds6

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

2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide (PubChem CID 4883221) has the molecular formula C18H27BrN2O and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
PubChem CID4883221
Molecular FormulaC18H27BrN2O
Molecular Weight367.33 g/mol
Exact Mass366.13
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H27BrN2O/c1-14(18(22)20-12-15-6-4-3-5-7-15)21(2)13-16-8-10-17(19)11-9-16/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,20,22)
InChIKeyQJCHHMVRPCRHFA-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide (CID 4883221) is 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide is CC(C(=O)NCC1CCCCC1)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
The InChIKey is QJCHHMVRPCRHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O/c1-14(18(22)20-12-15-6-4-3-5-7-15)21(2)13-16-8-10-17(19)11-9-16/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide has a molecular weight of 367.33 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 4883221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).