3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide

C19H22N2O3 — CID 110792701

IUPAC3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(OC(C)(C)C)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-13(22)20-16-7-5-6-14(12-16)18(23)21-15-8-10-17(11-9-15)24-19(2,3)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyKAJLVKSEAJDTME-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.07
Rot. Bonds4

About 3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide

3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide (PubChem CID 110792701) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide
PubChem CID110792701
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(OC(C)(C)C)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-13(22)20-16-7-5-6-14(12-16)18(23)21-15-8-10-17(11-9-15)24-19(2,3)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyKAJLVKSEAJDTME-UHFFFAOYSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268
methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
CID 17175145
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide (CID 110792701) is 3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc(OC(C)(C)C)cc2)c1.
What is the InChIKey of 3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide?
The InChIKey is KAJLVKSEAJDTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(22)20-16-7-5-6-14(12-16)18(23)21-15-8-10-17(11-9-15)24-19(2,3)4/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide?
3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 110792701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).