5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide

C26H29N3O2 — CID 171990634

IUPAC5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide
SMILESCCC(=O)C(NC(=O)c1cc(N(C)C2CNC2)ccc1C)c1cccc2ccccc12
InChIInChI=1S/C26H29N3O2/c1-4-24(30)25(22-11-7-9-18-8-5-6-10-21(18)22)28-26(31)23-14-19(13-12-17(23)2)29(3)20-15-27-16-20/h5-14,20,25,27H,4,15-16H2,1-3H3,(H,28,31)
InChIKeyMIJUCAIVBPSVTC-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.01
Rot. Bonds7

About 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide

5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide (PubChem CID 171990634) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide
PubChem CID171990634
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide
SMILESCCC(=O)C(NC(=O)c1cc(N(C)C2CNC2)ccc1C)c1cccc2ccccc12
InChIInChI=1S/C26H29N3O2/c1-4-24(30)25(22-11-7-9-18-8-5-6-10-21(18)22)28-26(31)23-14-19(13-12-17(23)2)29(3)20-15-27-16-20/h5-14,20,25,27H,4,15-16H2,1-3H3,(H,28,31)
InChIKeyMIJUCAIVBPSVTC-UHFFFAOYSA-N
XLogP4.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide
CID 156907304
2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen
CID 178174404
5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 178174489
3-[3-[[(1R)-1-(1H-indol-4-yl)ethyl]carbamoyl]-N,4-dimethylanilino]azetidine-1-carboxylic acid
CID 174234532
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(pyrrolidin-3-ylmethylamino)benzamide
CID 163231588
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
5-iodo-2-methyl-N-(2-naphthalen-1-ylpropyl)benzamide
CID 68562302
5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231513
2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
CID 61001910
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-[[(2S)-pyrrolidin-2-yl]methylamino]benzamide
CID 163231585
N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 175710913
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458

Frequently Asked Questions

What is the IUPAC name of 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide?
The IUPAC name of 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide (CID 171990634) is 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide.
What is the SMILES notation for 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide?
The canonical SMILES for 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide is CCC(=O)C(NC(=O)c1cc(N(C)C2CNC2)ccc1C)c1cccc2ccccc12.
What is the InChIKey of 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide?
The InChIKey is MIJUCAIVBPSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-4-24(30)25(22-11-7-9-18-8-5-6-10-21(18)22)28-26(31)23-14-19(13-12-17(23)2)29(3)20-15-27-16-20/h5-14,20,25,27H,4,15-16H2,1-3H3,(H,28,31).
What are the key properties of 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide?
5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide is sourced from PubChem (CID 171990634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).