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

C16H29Cl2N3O2 — CID 120502855

IUPAC3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCc1ccc(OCCN(C)C)cc1.Cl.Cl
InChIInChI=1S/C16H27N3O2.2ClH/c1-12(13(2)17)16(20)18-11-14-5-7-15(8-6-14)21-10-9-19(3)4;;/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20);2*1H
InChIKeyBXJPDQNWOCLEGA-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.07
Rot. Bonds8

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

3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120502855) has the molecular formula C16H29Cl2N3O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is 3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride
PubChem CID120502855
Molecular FormulaC16H29Cl2N3O2
Molecular Weight366.33 g/mol
Exact Mass365.16
IUPAC Name3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCc1ccc(OCCN(C)C)cc1.Cl.Cl
InChIInChI=1S/C16H27N3O2.2ClH/c1-12(13(2)17)16(20)18-11-14-5-7-15(8-6-14)21-10-9-19(3)4;;/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20);2*1H
InChIKeyBXJPDQNWOCLEGA-UHFFFAOYSA-N
XLogP2.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-2-methylbutanamide
CID 120503727
2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797875
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-phenylphenoxy)propanamide
CID 60520602
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845701
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714355

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride (CID 120502855) is 3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride is CC(N)C(C)C(=O)NCc1ccc(OCCN(C)C)cc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is BXJPDQNWOCLEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.2ClH/c1-12(13(2)17)16(20)18-11-14-5-7-15(8-6-14)21-10-9-19(3)4;;/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 366.33 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120502855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).