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

C18H29N3O3 — CID 120799114

IUPAC2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCN(C)CCOc1ccccc1CNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C18H29N3O3/c1-21(2)9-12-24-16-6-4-3-5-15(16)13-20-18(22)17(19)14-7-10-23-11-8-14/h3-6,14,17H,7-13,19H2,1-2H3,(H,20,22)
InChIKeyXRSJTQVEAGPDLY-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.00
Rot. Bonds8

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

2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120799114) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120799114
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCN(C)CCOc1ccccc1CNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C18H29N3O3/c1-21(2)9-12-24-16-6-4-3-5-15(16)13-20-18(22)17(19)14-7-10-23-11-8-14/h3-6,14,17H,7-13,19H2,1-2H3,(H,20,22)
InChIKeyXRSJTQVEAGPDLY-UHFFFAOYSA-N
XLogP1.00
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797875
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 120789376
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-amino-N-[[2-(4-methylphenoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120792516
2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120785294
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795648
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795647
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795659

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 120799114) is 2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide is CN(C)CCOc1ccccc1CNC(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is XRSJTQVEAGPDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-21(2)9-12-24-16-6-4-3-5-15(16)13-20-18(22)17(19)14-7-10-23-11-8-14/h3-6,14,17H,7-13,19H2,1-2H3,(H,20,22).
What are the key properties of 2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120799114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).