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

C13H18N2O3 — CID 64893376

IUPAC3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)C1(N)CCOC1
InChIInChI=1S/C13H18N2O3/c1-15(8-10-3-2-4-11(16)7-10)12(17)13(14)5-6-18-9-13/h2-4,7,16H,5-6,8-9,14H2,1H3
InChIKeyBACZMCSABGCWEQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.47
Rot. Bonds3

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

3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide (PubChem CID 64893376) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
PubChem CID64893376
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)C1(N)CCOC1
InChIInChI=1S/C13H18N2O3/c1-15(8-10-3-2-4-11(16)7-10)12(17)13(14)5-6-18-9-13/h2-4,7,16H,5-6,8-9,14H2,1H3
InChIKeyBACZMCSABGCWEQ-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64892163
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64893781
3-amino-N-methyl-N-(1H-pyrazol-4-ylmethyl)oxolane-3-carboxamide
CID 64893014
3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64891744
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide
CID 64893161
1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
CID 65464041
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide (CID 64893376) is 3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide is CN(Cc1cccc(O)c1)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is BACZMCSABGCWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(8-10-3-2-4-11(16)7-10)12(17)13(14)5-6-18-9-13/h2-4,7,16H,5-6,8-9,14H2,1H3.
What are the key properties of 3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 64893376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).