3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide

C16H24N2O — CID 115161721

IUPAC3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
SMILESCc1ccc(CCN(C)C(=O)C2CC(N)C2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-13(12(2)8-11)6-7-18(3)16(19)14-9-15(17)10-14/h4-5,8,14-15H,6-7,9-10,17H2,1-3H3
InChIKeyAYZMODADNGKJHY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.04
Rot. Bonds4

About 3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide

3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 115161721) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
PubChem CID115161721
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
SMILESCc1ccc(CCN(C)C(=O)C2CC(N)C2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-13(12(2)8-11)6-7-18(3)16(19)14-9-15(17)10-14/h4-5,8,14-15H,6-7,9-10,17H2,1-3H3
InChIKeyAYZMODADNGKJHY-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161715
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
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-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
N-[2-(2,4-dimethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176598
4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
CID 115156481
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
CID 116917656
2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 82127686
N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide
CID 115186751

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide (CID 115161721) is 3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide is Cc1ccc(CCN(C)C(=O)C2CC(N)C2)c(C)c1.
What is the InChIKey of 3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is AYZMODADNGKJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-4-5-13(12(2)8-11)6-7-18(3)16(19)14-9-15(17)10-14/h4-5,8,14-15H,6-7,9-10,17H2,1-3H3.
What are the key properties of 3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide?
3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115161721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).