N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide

C16H18N2O2 — CID 78957044

IUPACN-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide
SMILESCC1(CNC(=O)c2ccc(-n3cccc3)cc2)COC1
InChIInChI=1S/C16H18N2O2/c1-16(11-20-12-16)10-17-15(19)13-4-6-14(7-5-13)18-8-2-3-9-18/h2-9H,10-12H2,1H3,(H,17,19)
InChIKeyJCOXKXNOOALMMV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.24
Rot. Bonds4

About N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide

N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 78957044) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide
PubChem CID78957044
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide
SMILESCC1(CNC(=O)c2ccc(-n3cccc3)cc2)COC1
InChIInChI=1S/C16H18N2O2/c1-16(11-20-12-16)10-17-15(19)13-4-6-14(7-5-13)18-8-2-3-9-18/h2-9H,10-12H2,1H3,(H,17,19)
InChIKeyJCOXKXNOOALMMV-UHFFFAOYSA-N
XLogP2.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
4-(2-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 118795936
4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956822
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide
CID 110441001
N-[(3-methyloxetan-3-yl)methyl]pyridine-3-carboxamide
CID 78956674
4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 121499310
N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 78957455
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 131892543
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide (CID 78957044) is N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide is CC1(CNC(=O)c2ccc(-n3cccc3)cc2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is JCOXKXNOOALMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(11-20-12-16)10-17-15(19)13-4-6-14(7-5-13)18-8-2-3-9-18/h2-9H,10-12H2,1H3,(H,17,19).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide?
N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 78957044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).