3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide

C14H20N2O3 — CID 115185518

IUPAC3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2(CN)COC2)cc1C
InChIInChI=1S/C14H20N2O3/c1-3-19-12-5-4-11(6-10(12)2)16-13(17)14(7-15)8-18-9-14/h4-6H,3,7-9,15H2,1-2H3,(H,16,17)
InChIKeyWCCXQIDKHTZAHR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.31
Rot. Bonds5

About 3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide

3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide (PubChem CID 115185518) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide
PubChem CID115185518
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2(CN)COC2)cc1C
InChIInChI=1S/C14H20N2O3/c1-3-19-12-5-4-11(6-10(12)2)16-13(17)14(7-15)8-18-9-14/h4-6H,3,7-9,15H2,1-2H3,(H,16,17)
InChIKeyWCCXQIDKHTZAHR-UHFFFAOYSA-N
XLogP1.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
4-(aminomethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]oxane-4-carboxamide;hydrochloride
CID 120934021
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide
CID 115185496
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
N-(4-ethoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47410728
1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide
CID 117059920
N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537291
3-amino-4-(4-ethoxy-3-methylanilino)-4-oxobutanoic acid
CID 115181227
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
N-(4-ethoxy-3-methylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100660821

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide (CID 115185518) is 3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide is CCOc1ccc(NC(=O)C2(CN)COC2)cc1C.
What is the InChIKey of 3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide?
The InChIKey is WCCXQIDKHTZAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-12-5-4-11(6-10(12)2)16-13(17)14(7-15)8-18-9-14/h4-6H,3,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide?
3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-ethoxy-3-methylphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).