2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide

C20H30N2O4 — CID 120795652

IUPAC2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCc1ccc(CNC(=O)C(N)C2CCOCC2)c(OCC2CCCO2)c1
InChIInChI=1S/C20H30N2O4/c1-14-4-5-16(18(11-14)26-13-17-3-2-8-25-17)12-22-20(23)19(21)15-6-9-24-10-7-15/h4-5,11,15,17,19H,2-3,6-10,12-13,21H2,1H3,(H,22,23)
InChIKeyOJDKUKGBTTUZEH-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.92
Rot. Bonds7

About 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120795652) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID120795652
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
SMILESCc1ccc(CNC(=O)C(N)C2CCOCC2)c(OCC2CCCO2)c1
InChIInChI=1S/C20H30N2O4/c1-14-4-5-16(18(11-14)26-13-17-3-2-8-25-17)12-22-20(23)19(21)15-6-9-24-10-7-15/h4-5,11,15,17,19H,2-3,6-10,12-13,21H2,1H3,(H,22,23)
InChIKeyOJDKUKGBTTUZEH-UHFFFAOYSA-N
XLogP1.92
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795659
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795648
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339664
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795647
3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 119339663
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795636
N-[[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 97320450
2-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977012
4-(aminomethyl)-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide;hydrochloride
CID 119339674
1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
CID 71970329
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006245
2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120801276

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide (CID 120795652) is 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide is Cc1ccc(CNC(=O)C(N)C2CCOCC2)c(OCC2CCCO2)c1.
What is the InChIKey of 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is OJDKUKGBTTUZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-14-4-5-16(18(11-14)26-13-17-3-2-8-25-17)12-22-20(23)19(21)15-6-9-24-10-7-15/h4-5,11,15,17,19H,2-3,6-10,12-13,21H2,1H3,(H,22,23).
What are the key properties of 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120795652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).