3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide

C13H18N2O2 — CID 115185610

IUPAC3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
SMILESCc1cccc(N(C)C(=O)C2(CN)COC2)c1
InChIInChI=1S/C13H18N2O2/c1-10-4-3-5-11(6-10)15(2)12(16)13(7-14)8-17-9-13/h3-6H,7-9,14H2,1-2H3
InChIKeyDCGVMRODJAWLNB-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.93
Rot. Bonds3

About 3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide

3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide (PubChem CID 115185610) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
PubChem CID115185610
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
SMILESCc1cccc(N(C)C(=O)C2(CN)COC2)c1
InChIInChI=1S/C13H18N2O2/c1-10-4-3-5-11(6-10)15(2)12(16)13(7-14)8-17-9-13/h3-6H,7-9,14H2,1-2H3
InChIKeyDCGVMRODJAWLNB-UHFFFAOYSA-N
XLogP0.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
CID 115185619
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
CID 115182653
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185700
1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119943411
1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide
CID 80588473
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
CID 113270071
N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide
CID 62003887
1-amino-3-(N,3-dimethylanilino)propan-2-one
CID 83818168
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
CID 103155733

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide (CID 115185610) is 3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide is Cc1cccc(N(C)C(=O)C2(CN)COC2)c1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide?
The InChIKey is DCGVMRODJAWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-4-3-5-11(6-10)15(2)12(16)13(7-14)8-17-9-13/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide?
3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).