2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride

C14H21ClN2O3 — CID 119713691

IUPAC2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(OCC2CCCO2)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-15-9-14(17)16-11-4-2-5-12(8-11)19-10-13-6-3-7-18-13;/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3,(H,16,17);1H
InChIKeyCAWUSCIYGAMMBQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.82
Rot. Bonds6

About 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride

2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride (PubChem CID 119713691) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
PubChem CID119713691
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(OCC2CCCO2)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-15-9-14(17)16-11-4-2-5-12(8-11)19-10-13-6-3-7-18-13;/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3,(H,16,17);1H
InChIKeyCAWUSCIYGAMMBQ-UHFFFAOYSA-N
XLogP1.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride (CID 119713691) is 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride is CNCC(=O)Nc1cccc(OCC2CCCO2)c1.Cl.
What is the InChIKey of 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is CAWUSCIYGAMMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-15-9-14(17)16-11-4-2-5-12(8-11)19-10-13-6-3-7-18-13;/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3,(H,16,17);1H.
What are the key properties of 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride?
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119713691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).