6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide

C18H30N2O2 — CID 142014071

IUPAC6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide
SMILESCCc1ccccc1OCCCN(C)C(=O)CCCCCN
InChIInChI=1S/C18H30N2O2/c1-3-16-10-6-7-11-17(16)22-15-9-14-20(2)18(21)12-5-4-8-13-19/h6-7,10-11H,3-5,8-9,12-15,19H2,1-2H3
InChIKeyWBKXZCXCUBQXIU-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.00
Rot. Bonds11

About 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide

6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide (PubChem CID 142014071) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide
PubChem CID142014071
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide
SMILESCCc1ccccc1OCCCN(C)C(=O)CCCCCN
InChIInChI=1S/C18H30N2O2/c1-3-16-10-6-7-11-17(16)22-15-9-14-20(2)18(21)12-5-4-8-13-19/h6-7,10-11H,3-5,8-9,12-15,19H2,1-2H3
InChIKeyWBKXZCXCUBQXIU-UHFFFAOYSA-N
XLogP3.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide 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-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
4-(2-ethylphenoxy)butanamide
CID 82040636
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
6-amino-N-(2-ethoxyethyl)-N-methylhexanamide
CID 81059139
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide?
The IUPAC name of 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide (CID 142014071) is 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide.
What is the SMILES notation for 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide?
The canonical SMILES for 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide is CCc1ccccc1OCCCN(C)C(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide?
The InChIKey is WBKXZCXCUBQXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-16-10-6-7-11-17(16)22-15-9-14-20(2)18(21)12-5-4-8-13-19/h6-7,10-11H,3-5,8-9,12-15,19H2,1-2H3.
What are the key properties of 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide?
6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide has a molecular weight of 306.45 g/mol, XLogP of 3.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(2-ethylphenoxy)propyl]-N-methylhexanamide is sourced from PubChem (CID 142014071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).