3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide

C16H24N2O — CID 115161611

IUPAC3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cc(C)c(CN(C)C(=O)C2CC(N)C2)cc1C
InChIInChI=1S/C16H24N2O/c1-10-5-12(3)14(6-11(10)2)9-18(4)16(19)13-7-15(17)8-13/h5-6,13,15H,7-9,17H2,1-4H3
InChIKeyBWEUTRJJTXWAOE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.31
Rot. Bonds3

About 3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide

3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115161611) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115161611
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cc(C)c(CN(C)C(=O)C2CC(N)C2)cc1C
InChIInChI=1S/C16H24N2O/c1-10-5-12(3)14(6-11(10)2)9-18(4)16(19)13-7-15(17)8-13/h5-6,13,15H,7-9,17H2,1-4H3
InChIKeyBWEUTRJJTXWAOE-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161721
3-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161715
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)cyclobutane-1-carboxamide
CID 115161636
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide
CID 138010516
4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690580
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115179983
3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115153746
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
CID 136536254
4-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115163709

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide (CID 115161611) is 3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide is Cc1cc(C)c(CN(C)C(=O)C2CC(N)C2)cc1C.
What is the InChIKey of 3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is BWEUTRJJTXWAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-5-12(3)14(6-11(10)2)9-18(4)16(19)13-7-15(17)8-13/h5-6,13,15H,7-9,17H2,1-4H3.
What are the key properties of 3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide?
3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.31, 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-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).