2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride

C18H33Cl2N3O3 — CID 119858674

IUPAC2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1.Cl.Cl
InChIInChI=1S/C18H31N3O3.2ClH/c1-6-9-18(2,19)17(22)20-13-14-7-8-15(16(12-14)23-5)24-11-10-21(3)4;;/h7-8,12H,6,9-11,13,19H2,1-5H3,(H,20,22);2*1H
InChIKeyJBNLHDCBMJYEOZ-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.61
Rot. Bonds10

About 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride

2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride (PubChem CID 119858674) has the molecular formula C18H33Cl2N3O3 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride
PubChem CID119858674
Molecular FormulaC18H33Cl2N3O3
Molecular Weight410.39 g/mol
Exact Mass409.19
IUPAC Name2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1.Cl.Cl
InChIInChI=1S/C18H31N3O3.2ClH/c1-6-9-18(2,19)17(22)20-13-14-7-8-15(16(12-14)23-5)24-11-10-21(3)4;;/h7-8,12H,6,9-11,13,19H2,1-5H3,(H,20,22);2*1H
InChIKeyJBNLHDCBMJYEOZ-UHFFFAOYSA-N
XLogP2.61
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride 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

2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
CID 119858648
N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119858622
(2S)-2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-methylbutanamide
CID 119858639
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588375
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120588376
N-[(3,4-dimethoxyphenyl)methyl]-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960213
5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
CID 120644583
2-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpentanamide;hydrochloride
CID 119731450
2-amino-N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119718156
3-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119858619
methyl 2-amino-3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 170884590
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride (CID 119858674) is 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride is CCCC(C)(N)C(=O)NCc1ccc(OCCN(C)C)c(OC)c1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride?
The InChIKey is JBNLHDCBMJYEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3.2ClH/c1-6-9-18(2,19)17(22)20-13-14-7-8-15(16(12-14)23-5)24-11-10-21(3)4;;/h7-8,12H,6,9-11,13,19H2,1-5H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride?
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride has a molecular weight of 410.39 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119858674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).