4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide

C12H16N2O3 — CID 107734641

IUPAC4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide
SMILESCN(C(=O)C1COCC1N)c1cccc(O)c1
InChIInChI=1S/C12H16N2O3/c1-14(8-3-2-4-9(15)5-8)12(16)10-6-17-7-11(10)13/h2-5,10-11,15H,6-7,13H2,1H3
InChIKeyZGJGBCUJPIWZTB-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.33
Rot. Bonds2

About 4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide

4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide (PubChem CID 107734641) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide
PubChem CID107734641
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide
SMILESCN(C(=O)C1COCC1N)c1cccc(O)c1
InChIInChI=1S/C12H16N2O3/c1-14(8-3-2-4-9(15)5-8)12(16)10-6-17-7-11(10)13/h2-5,10-11,15H,6-7,13H2,1H3
InChIKeyZGJGBCUJPIWZTB-UHFFFAOYSA-N
XLogP0.33
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
(1S,6R)-6-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 107734001
4-amino-N-ethyl-N-(3-methylphenyl)oxolane-3-carboxamide
CID 66236049
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66235837
5-[(3-hydroxyphenyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 107734002
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
(2R)-2-amino-N-(3-hydroxyphenyl)-N-methylpropanamide
CID 107734692
2-amino-N-(3-hydroxyphenyl)-N,2-dimethylpropanamide
CID 107734712
4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
N-(3-hydroxyphenyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 107735819
2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734828
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide (CID 107734641) is 4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide is CN(C(=O)C1COCC1N)c1cccc(O)c1.
What is the InChIKey of 4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide?
The InChIKey is ZGJGBCUJPIWZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(8-3-2-4-9(15)5-8)12(16)10-6-17-7-11(10)13/h2-5,10-11,15H,6-7,13H2,1H3.
What are the key properties of 4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide?
4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxyphenyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 107734641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).