2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride

C15H23ClN2O3 — CID 119339664

IUPAC2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCc1ccc(CNC(=O)CN)c(OCC2CCCO2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-4-5-12(9-17-15(18)8-16)14(7-11)20-10-13-3-2-6-19-13;/h4-5,7,13H,2-3,6,8-10,16H2,1H3,(H,17,18);1H
InChIKeySUDMEYZCWWXPBG-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.55
Rot. Bonds6

About 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride

2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119339664) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
PubChem CID119339664
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
SMILESCc1ccc(CNC(=O)CN)c(OCC2CCCO2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-4-5-12(9-17-15(18)8-16)14(7-11)20-10-13-3-2-6-19-13;/h4-5,7,13H,2-3,6,8-10,16H2,1H3,(H,17,18);1H
InChIKeySUDMEYZCWWXPBG-UHFFFAOYSA-N
XLogP1.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 119339663
4-(aminomethyl)-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide;hydrochloride
CID 119339674
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
1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
CID 71970329
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795652
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006245
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 120936172
4-[[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid
CID 122031979
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 154740250

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride (CID 119339664) is 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride is Cc1ccc(CNC(=O)CN)c(OCC2CCCO2)c1.Cl.
What is the InChIKey of 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is SUDMEYZCWWXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-11-4-5-12(9-17-15(18)8-16)14(7-11)20-10-13-3-2-6-19-13;/h4-5,7,13H,2-3,6,8-10,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride?
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119339664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).