2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide

C15H22N2O — CID 79854781

IUPAC2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CN(C)C(=O)CC2(N)CCC2)c1
InChIInChI=1S/C15H22N2O/c1-12-5-3-6-13(9-12)11-17(2)14(18)10-15(16)7-4-8-15/h3,5-6,9H,4,7-8,10-11,16H2,1-2H3
InChIKeySWPWAGGMIDLBAU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.22
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide

2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 79854781) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
PubChem CID79854781
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CN(C)C(=O)CC2(N)CCC2)c1
InChIInChI=1S/C15H22N2O/c1-12-5-3-6-13(9-12)11-17(2)14(18)10-15(16)7-4-8-15/h3,5-6,9H,4,7-8,10-11,16H2,1-2H3
InChIKeySWPWAGGMIDLBAU-UHFFFAOYSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-N-methyl-N-(naphthalen-2-ylmethyl)acetamide
CID 79843799
2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 64684867
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
2-(1-aminocyclopentyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 64685068
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
2-(1-aminocyclopentyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 64684189
2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 79853828
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 61411916
1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine
CID 64679512
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 64551887

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide (CID 79854781) is 2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CN(C)C(=O)CC2(N)CCC2)c1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is SWPWAGGMIDLBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-3-6-13(9-12)11-17(2)14(18)10-15(16)7-4-8-15/h3,5-6,9H,4,7-8,10-11,16H2,1-2H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide?
2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 79854781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).