2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C18H31Cl2N3O3 — CID 120797875

IUPAC2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN(C)CCOc1ccc(CNC(=O)C(N)C2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C18H29N3O3.2ClH/c1-21(2)9-12-24-16-5-3-14(4-6-16)13-20-18(22)17(19)15-7-10-23-11-8-15;;/h3-6,15,17H,7-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyAFPSNJWQMRNDSA-UHFFFAOYSA-N
MW408.37 g/mol
LogP1.84
Rot. Bonds8

About 2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120797875) has the molecular formula C18H31Cl2N3O3 and a molecular weight of 408.37 g/mol. Its IUPAC name is 2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120797875
Molecular FormulaC18H31Cl2N3O3
Molecular Weight408.37 g/mol
Exact Mass407.17
IUPAC Name2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN(C)CCOc1ccc(CNC(=O)C(N)C2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C18H29N3O3.2ClH/c1-21(2)9-12-24-16-5-3-14(4-6-16)13-20-18(22)17(19)15-7-10-23-11-8-15;;/h3-6,15,17H,7-13,19H2,1-2H3,(H,20,22);2*1H
InChIKeyAFPSNJWQMRNDSA-UHFFFAOYSA-N
XLogP1.84
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799114
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784359
3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride
CID 120502855
2-amino-N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787041
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786627
2-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796605
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789949
2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797734
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120797875) is 2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride is CN(C)CCOc1ccc(CNC(=O)C(N)C2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is AFPSNJWQMRNDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3.2ClH/c1-21(2)9-12-24-16-5-3-14(4-6-16)13-20-18(22)17(19)15-7-10-23-11-8-15;;/h3-6,15,17H,7-13,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 408.37 g/mol, XLogP of 1.84, 8 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]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120797875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).