1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide

C15H22N2O2 — CID 81172694

IUPAC1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)C1(N)CCC1
InChIInChI=1S/C15H22N2O2/c1-11-5-6-13(19-3)12(9-11)10-17(2)14(18)15(16)7-4-8-15/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyTUMDDOPAQAPONH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.84
Rot. Bonds4

About 1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide

1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 81172694) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
PubChem CID81172694
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)C1(N)CCC1
InChIInChI=1S/C15H22N2O2/c1-11-5-6-13(19-3)12(9-11)10-17(2)14(18)15(16)7-4-8-15/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyTUMDDOPAQAPONH-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(2,4-dimethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119267645
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
1-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119279477
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
3-amino-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64896727
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 54869116
1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095246
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide (CID 81172694) is 1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide is COc1ccc(C)cc1CN(C)C(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is TUMDDOPAQAPONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-6-13(19-3)12(9-11)10-17(2)14(18)15(16)7-4-8-15/h5-6,9H,4,7-8,10,16H2,1-3H3.
What are the key properties of 1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide?
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 81172694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).