2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide

C16H25N3O2 — CID 120797734

IUPAC2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCN(C)c1cccc(CNC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-19(2)14-5-3-4-12(10-14)11-18-16(20)15(17)13-6-8-21-9-7-13/h3-5,10,13,15H,6-9,11,17H2,1-2H3,(H,18,20)
InChIKeyWIGRTZARRBTVJF-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.12
Rot. Bonds5

About 2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120797734) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120797734
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCN(C)c1cccc(CNC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-19(2)14-5-3-4-12(10-14)11-18-16(20)15(17)13-6-8-21-9-7-13/h3-5,10,13,15H,6-9,11,17H2,1-2H3,(H,18,20)
InChIKeyWIGRTZARRBTVJF-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
CID 120793432
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789949
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791700
N-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120798865
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784239

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 120797734) is 2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide is CN(C)c1cccc(CNC(=O)C(N)C2CCOCC2)c1.
What is the InChIKey of 2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is WIGRTZARRBTVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)14-5-3-4-12(10-14)11-18-16(20)15(17)13-6-8-21-9-7-13/h3-5,10,13,15H,6-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120797734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).