N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide

C17H27N3O — CID 105420406

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1C
InChIInChI=1S/C17H27N3O/c1-13-11-14(7-8-15(13)18-2)16(21)20(5)12-17(19(3)4)9-6-10-17/h7-8,11,18H,6,9-10,12H2,1-5H3
InChIKeyITUGWVVENSWGRZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide (PubChem CID 105420406) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide
PubChem CID105420406
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1C
InChIInChI=1S/C17H27N3O/c1-13-11-14(7-8-15(13)18-2)16(21)20(5)12-17(19(3)4)9-6-10-17/h7-8,11,18H,6,9-10,12H2,1-5H3
InChIKeyITUGWVVENSWGRZ-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide (CID 105420406) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide is CNc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1C.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide?
The InChIKey is ITUGWVVENSWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-11-14(7-8-15(13)18-2)16(21)20(5)12-17(19(3)4)9-6-10-17/h7-8,11,18H,6,9-10,12H2,1-5H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide is sourced from PubChem (CID 105420406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).