N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide

C15H23N3O — CID 105419225

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C15H23N3O/c1-16-13-8-5-4-7-12(13)14(19)17-11-15(18(2)3)9-6-10-15/h4-5,7-8,16H,6,9-11H2,1-3H3,(H,17,19)
InChIKeyRTDUHTYQCBBEED-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.94
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide (PubChem CID 105419225) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide
PubChem CID105419225
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C15H23N3O/c1-16-13-8-5-4-7-12(13)14(19)17-11-15(18(2)3)9-6-10-15/h4-5,7-8,16H,6,9-11H2,1-3H3,(H,17,19)
InChIKeyRTDUHTYQCBBEED-UHFFFAOYSA-N
XLogP1.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
CID 105416225
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 105417100
N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 47108596
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62979065
2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride
CID 119947204
2-(difluoromethylsulfanyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]pyridine-3-carboxamide
CID 18165140
2-anilino-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105417171
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide
CID 61210410
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-hydroxybenzamide
CID 106502082
3-amino-5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbenzamide
CID 107873217

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide (CID 105419225) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NCC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide?
The InChIKey is RTDUHTYQCBBEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-13-8-5-4-7-12(13)14(19)17-11-15(18(2)3)9-6-10-15/h4-5,7-8,16H,6,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide is sourced from PubChem (CID 105419225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).