4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide

C16H20N2O2 — CID 110464679

IUPAC4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)NCc2ccc[nH]2)cc1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)20-14-8-6-12(7-9-14)15(19)18-11-13-5-4-10-17-13/h4-10,17H,11H2,1-3H3,(H,18,19)
InChIKeyKIPUNPCRMOBJKG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.12
Rot. Bonds4

About 4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide

4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide (PubChem CID 110464679) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide
PubChem CID110464679
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)NCc2ccc[nH]2)cc1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)20-14-8-6-12(7-9-14)15(19)18-11-13-5-4-10-17-13/h4-10,17H,11H2,1-3H3,(H,18,19)
InChIKeyKIPUNPCRMOBJKG-UHFFFAOYSA-N
XLogP3.12
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110445664
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110464682
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859470
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
N-(1-hydroxybutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110466125
3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110486697
N-(1H-pyrrol-2-ylmethyl)thiophene-2-carboxamide
CID 71684218
N'-(1H-pyrrol-2-ylmethyl)oxamide
CID 115191836
(2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 95934284

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide (CID 110464679) is 4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide is CC(C)(C)Oc1ccc(C(=O)NCc2ccc[nH]2)cc1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide?
The InChIKey is KIPUNPCRMOBJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)20-14-8-6-12(7-9-14)15(19)18-11-13-5-4-10-17-13/h4-10,17H,11H2,1-3H3,(H,18,19).
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide?
4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide has a molecular weight of 272.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide is sourced from PubChem (CID 110464679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).