N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide

C17H27BrN2O2 — CID 119652808

IUPACN-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide
SMILESCN(CC(C)(C)CN)C(=O)CCCCOc1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2O2/c1-17(2,12-19)13-20(3)16(21)6-4-5-11-22-15-9-7-14(18)8-10-15/h7-10H,4-6,11-13,19H2,1-3H3
InChIKeySRIPWHZNHSZPHH-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.44
Rot. Bonds9

About N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide

N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide (PubChem CID 119652808) has the molecular formula C17H27BrN2O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide
PubChem CID119652808
Molecular FormulaC17H27BrN2O2
Molecular Weight371.32 g/mol
Exact Mass370.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide
SMILESCN(CC(C)(C)CN)C(=O)CCCCOc1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2O2/c1-17(2,12-19)13-20(3)16(21)6-4-5-11-22-15-9-7-14(18)8-10-15/h7-10H,4-6,11-13,19H2,1-3H3
InChIKeySRIPWHZNHSZPHH-UHFFFAOYSA-N
XLogP3.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528
3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381735
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 119656009
N-(3-amino-2,2-dimethylpropyl)-4-(2-chlorophenoxy)-N-methylbutanamide
CID 119657041
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethoxy)-N-methylbenzamide
CID 119654669
N-(2-aminoethyl)-5-(4-bromophenoxy)-N-propan-2-ylpentanamide
CID 167779460
N-(3-amino-2,2-dimethylpropyl)-4-(3-methoxypropoxy)-N-methylbenzamide;hydrochloride
CID 119654733
N-(3-amino-2,2-dimethylpropyl)-N-methylnonanamide
CID 79652123
N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
CID 79646027
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide (CID 119652808) is N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide is CN(CC(C)(C)CN)C(=O)CCCCOc1ccc(Br)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide?
The InChIKey is SRIPWHZNHSZPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O2/c1-17(2,12-19)13-20(3)16(21)6-4-5-11-22-15-9-7-14(18)8-10-15/h7-10H,4-6,11-13,19H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide?
N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide has a molecular weight of 371.32 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide is sourced from PubChem (CID 119652808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).