3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide

C15H22N2O2 — CID 115185700

IUPAC3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2(CN)COC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-13(12(2)6-11)7-17(3)14(18)15(8-16)9-19-10-15/h4-6H,7-10,16H2,1-3H3
InChIKeyDRBQDZWYGAJXFR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.24
Rot. Bonds4

About 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide

3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide (PubChem CID 115185700) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide
PubChem CID115185700
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2(CN)COC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-13(12(2)6-11)7-17(3)14(18)15(8-16)9-19-10-15/h4-6H,7-10,16H2,1-3H3
InChIKeyDRBQDZWYGAJXFR-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185386
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxane-4-carboxamide
CID 115439217
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115249494
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185698
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
CID 115185610
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120918448
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 61163337
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide (CID 115185700) is 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide is Cc1ccc(CN(C)C(=O)C2(CN)COC2)c(C)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide?
The InChIKey is DRBQDZWYGAJXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-5-13(12(2)6-11)7-17(3)14(18)15(8-16)9-19-10-15/h4-6H,7-10,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide?
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide is sourced from PubChem (CID 115185700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).