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

C16H29Cl2N3O2 — CID 120564549

IUPAC4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1cccc(OCCN(C)C)c1.Cl.Cl
InChIInChI=1S/C16H27N3O2.2ClH/c1-13(17)7-8-16(20)18-12-14-5-4-6-15(11-14)21-10-9-19(2)3;;/h4-6,11,13H,7-10,12,17H2,1-3H3,(H,18,20);2*1H
InChIKeyVENFOMAYEDUCRV-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.21
Rot. Bonds9

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

4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride (PubChem CID 120564549) has the molecular formula C16H29Cl2N3O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
PubChem CID120564549
Molecular FormulaC16H29Cl2N3O2
Molecular Weight366.33 g/mol
Exact Mass365.16
IUPAC Name4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NCc1cccc(OCCN(C)C)c1.Cl.Cl
InChIInChI=1S/C16H27N3O2.2ClH/c1-13(17)7-8-16(20)18-12-14-5-4-6-15(11-14)21-10-9-19(2)3;;/h4-6,11,13H,7-10,12,17H2,1-3H3,(H,18,20);2*1H
InChIKeyVENFOMAYEDUCRV-UHFFFAOYSA-N
XLogP2.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride
CID 120595243
3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 120565109
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
CID 119283198
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
N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60545218
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110976938
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60545485

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride (CID 120564549) is 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride is CC(N)CCC(=O)NCc1cccc(OCCN(C)C)c1.Cl.Cl.
What is the InChIKey of 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride?
The InChIKey is VENFOMAYEDUCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.2ClH/c1-13(17)7-8-16(20)18-12-14-5-4-6-15(11-14)21-10-9-19(2)3;;/h4-6,11,13H,7-10,12,17H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride?
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride has a molecular weight of 366.33 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).