4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride

C16H29Cl2N3O3 — CID 120595243

IUPAC4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1cccc(OCCN(C)C)c1.Cl.Cl
InChIInChI=1S/C16H27N3O3.2ClH/c1-19(2)7-8-22-14-6-4-5-13(9-14)12-18-16(20)10-15(11-17)21-3;;/h4-6,9,15H,7-8,10-12,17H2,1-3H3,(H,18,20);2*1H
InChIKeyBORCAMCDFQCWCQ-UHFFFAOYSA-N
MW382.33 g/mol
LogP1.45
Rot. Bonds10

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

4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120595243) has the molecular formula C16H29Cl2N3O3 and a molecular weight of 382.33 g/mol. Its IUPAC name is 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride
PubChem CID120595243
Molecular FormulaC16H29Cl2N3O3
Molecular Weight382.33 g/mol
Exact Mass381.16
IUPAC Name4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1cccc(OCCN(C)C)c1.Cl.Cl
InChIInChI=1S/C16H27N3O3.2ClH/c1-19(2)7-8-22-14-6-4-5-13(9-14)12-18-16(20)10-15(11-17)21-3;;/h4-6,9,15H,7-8,10-12,17H2,1-3H3,(H,18,20);2*1H
InChIKeyBORCAMCDFQCWCQ-UHFFFAOYSA-N
XLogP1.45
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
CID 120564549
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
4-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxybutanamide
CID 120590045
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111537947
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 60545308
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60545218
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride (CID 120595243) is 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride is COC(CN)CC(=O)NCc1cccc(OCCN(C)C)c1.Cl.Cl.
What is the InChIKey of 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is BORCAMCDFQCWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3.2ClH/c1-19(2)7-8-22-14-6-4-5-13(9-14)12-18-16(20)10-15(11-17)21-3;;/h4-6,9,15H,7-8,10-12,17H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 382.33 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120595243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).