3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide

C13H18N2O3 — CID 64894149

IUPAC3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
SMILESCOCc1cccc(NC(=O)C2(N)CCOC2)c1
InChIInChI=1S/C13H18N2O3/c1-17-8-10-3-2-4-11(7-10)15-12(16)13(14)5-6-18-9-13/h2-4,7H,5-6,8-9,14H2,1H3,(H,15,16)
InChIKeyIXTLGGWMNILCMP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.89
Rot. Bonds4

About 3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide

3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide (PubChem CID 64894149) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
PubChem CID64894149
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
SMILESCOCc1cccc(NC(=O)C2(N)CCOC2)c1
InChIInChI=1S/C13H18N2O3/c1-17-8-10-3-2-4-11(7-10)15-12(16)13(14)5-6-18-9-13/h2-4,7H,5-6,8-9,14H2,1H3,(H,15,16)
InChIKeyIXTLGGWMNILCMP-UHFFFAOYSA-N
XLogP0.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741
4-(aminomethyl)-N-[3-(methoxymethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120924113
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891125
3-amino-N-(3-pyrrol-1-ylphenyl)oxolane-3-carboxamide
CID 64893967
4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
CID 115293571
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
1-(N'-hydroxycarbamimidoyl)-N-[3-(methoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 76921301
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
2-(1-hydroxycyclopentyl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 111430510
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
N-[3-(methoxymethyl)phenyl]morpholine-4-carboxamide
CID 34684605
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide (CID 64894149) is 3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide is COCc1cccc(NC(=O)C2(N)CCOC2)c1.
What is the InChIKey of 3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is IXTLGGWMNILCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-8-10-3-2-4-11(7-10)15-12(16)13(14)5-6-18-9-13/h2-4,7H,5-6,8-9,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64894149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).