4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide

C13H18N2O3 — CID 66235837

IUPAC4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)C1COCC1N
InChIInChI=1S/C13H18N2O3/c1-15(6-9-2-4-10(16)5-3-9)13(17)11-7-18-8-12(11)14/h2-5,11-12,16H,6-8,14H2,1H3
InChIKeyZFVIMCPJELSAHI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.32
Rot. Bonds3

About 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide

4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide (PubChem CID 66235837) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
PubChem CID66235837
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)C1COCC1N
InChIInChI=1S/C13H18N2O3/c1-15(6-9-2-4-10(16)5-3-9)13(17)11-7-18-8-12(11)14/h2-5,11-12,16H,6-8,14H2,1H3
InChIKeyZFVIMCPJELSAHI-UHFFFAOYSA-N
XLogP0.32
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237531
1-(4-aminooxolan-3-yl)-2-(4-hydroxyphenyl)ethanone
CID 116587555
4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
4-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyloxolane-3-carboxamide
CID 66239265
2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 114997651
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 66235264
4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide
CID 107734641
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267194
N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266005
4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237533
2-amino-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237360

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide (CID 66235837) is 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide is CN(Cc1ccc(O)cc1)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is ZFVIMCPJELSAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(6-9-2-4-10(16)5-3-9)13(17)11-7-18-8-12(11)14/h2-5,11-12,16H,6-8,14H2,1H3.
What are the key properties of 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66235837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).