3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide

C14H20N2O — CID 115161620

IUPAC3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cccc(CN(C)C(=O)C2CC(N)C2)c1
InChIInChI=1S/C14H20N2O/c1-10-4-3-5-11(6-10)9-16(2)14(17)12-7-13(15)8-12/h3-6,12-13H,7-9,15H2,1-2H3
InChIKeyVRZRETADPWBTHC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.69
Rot. Bonds3

About 3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide

3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115161620) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115161620
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cccc(CN(C)C(=O)C2CC(N)C2)c1
InChIInChI=1S/C14H20N2O/c1-10-4-3-5-11(6-10)9-16(2)14(17)12-7-13(15)8-12/h3-6,12-13H,7-9,15H2,1-2H3
InChIKeyVRZRETADPWBTHC-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66009589
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
3-amino-N-methyl-N-[(3-methylsulfanylphenyl)methyl]cyclohexane-1-carboxamide
CID 156608399
3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161611
3-amino-N-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 115161711
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)cyclobutane-1-carboxamide
CID 115161636
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
2-amino-N-[(3-hydroxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 82237533
3-[methyl-[(3-methylphenyl)methyl]amino]cyclobutane-1-carboxylic acid
CID 117042985

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide (CID 115161620) is 3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide is Cc1cccc(CN(C)C(=O)C2CC(N)C2)c1.
What is the InChIKey of 3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is VRZRETADPWBTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-4-3-5-11(6-10)9-16(2)14(17)12-7-13(15)8-12/h3-6,12-13H,7-9,15H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide?
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).