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

C13H18N2O3 — CID 66240217

IUPAC4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
SMILESCOCc1cccc(NC(=O)C2COCC2N)c1
InChIInChI=1S/C13H18N2O3/c1-17-6-9-3-2-4-10(5-9)15-13(16)11-7-18-8-12(11)14/h2-5,11-12H,6-8,14H2,1H3,(H,15,16)
InChIKeyDBFFLZQKRITUCQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.75
Rot. Bonds4

About 4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide

4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide (PubChem CID 66240217) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
PubChem CID66240217
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
SMILESCOCc1cccc(NC(=O)C2COCC2N)c1
InChIInChI=1S/C13H18N2O3/c1-17-6-9-3-2-4-10(5-9)15-13(16)11-7-18-8-12(11)14/h2-5,11-12H,6-8,14H2,1H3,(H,15,16)
InChIKeyDBFFLZQKRITUCQ-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
CID 66237312
3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid
CID 115339875
4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide
CID 66240637
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
4-amino-N-(3-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239997
9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985468
3-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 64894149
4-amino-N-[3-(1,2,4-triazol-4-yl)phenyl]oxolane-3-carboxamide
CID 66240428
4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179
4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
CID 79241184
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
methyl 2-[(4-aminooxolane-3-carbonyl)amino]-5-methylbenzoate
CID 66240421

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide (CID 66240217) is 4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide is COCc1cccc(NC(=O)C2COCC2N)c1.
What is the InChIKey of 4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is DBFFLZQKRITUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-6-9-3-2-4-10(5-9)15-13(16)11-7-18-8-12(11)14/h2-5,11-12H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide?
4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66240217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).