4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide

C17H26N2O2 — CID 111445696

IUPAC4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESCCCCN(C)c1ccc(C(=O)NCC2(O)CCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-4-12-19(2)15-8-6-14(7-9-15)16(20)18-13-17(21)10-5-11-17/h6-9,21H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyBKJXXXPCGYCNJD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds7

About 4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide

4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide (PubChem CID 111445696) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide
PubChem CID111445696
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESCCCCN(C)c1ccc(C(=O)NCC2(O)CCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-4-12-19(2)15-8-6-14(7-9-15)16(20)18-13-17(21)10-5-11-17/h6-9,21H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyBKJXXXPCGYCNJD-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
CID 111445550
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
1-[[3-(N-methylanilino)propylamino]methyl]cyclopentan-1-ol
CID 65211250
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885
N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
CID 111445607
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 120889360

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide (CID 111445696) is 4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide is CCCCN(C)c1ccc(C(=O)NCC2(O)CCC2)cc1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is BKJXXXPCGYCNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-12-19(2)15-8-6-14(7-9-15)16(20)18-13-17(21)10-5-11-17/h6-9,21H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of 4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 111445696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).