(2-benzamido-2-methylpropyl) benzoate

C18H19NO3 — CID 10590100

IUPAC(2-benzamido-2-methylpropyl) benzoate
SMILESCC(C)(COC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-18(2,19-16(20)14-9-5-3-6-10-14)13-22-17(21)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyQMGNUSZEEDFRLA-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.05
Rot. Bonds5

About (2-benzamido-2-methylpropyl) benzoate

(2-benzamido-2-methylpropyl) benzoate (PubChem CID 10590100) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2-benzamido-2-methylpropyl) benzoate.

Molecular Properties

Compound Name(2-benzamido-2-methylpropyl) benzoate
PubChem CID10590100
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2-benzamido-2-methylpropyl) benzoate
SMILESCC(C)(COC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-18(2,19-16(20)14-9-5-3-6-10-14)13-22-17(21)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,19,20)
InChIKeyQMGNUSZEEDFRLA-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hexylcaine
CID 10770
Meprylcaine
CID 4065
Hexylcaine Hydrochloride
CID 102426
2-benzamidoethyl Benzoate
CID 5131781
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
2-Propanol, 1-(cyclohexylamino)-, 2-benzoate, (S)-
CID 6604266
Ethyl 2-(benzoylamino)-5-phenyl-2,4-pentadienoate
CID 5338179
2-Propenoic acid, 2-benzoylamino-3-phenyl-, ethyl ester
CID 5369686
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2366548
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,4-dimethylbenzoate
CID 4802847
Methyl 2-(benzoylamino)-5-phenyl-2,4-pentadienoate
CID 5719594

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-methylpropyl) benzoate?
The IUPAC name of (2-benzamido-2-methylpropyl) benzoate (CID 10590100) is (2-benzamido-2-methylpropyl) benzoate.
What is the SMILES notation for (2-benzamido-2-methylpropyl) benzoate?
The canonical SMILES for (2-benzamido-2-methylpropyl) benzoate is CC(C)(COC(=O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-methylpropyl) benzoate?
The InChIKey is QMGNUSZEEDFRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2,19-16(20)14-9-5-3-6-10-14)13-22-17(21)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,19,20).
What are the key properties of (2-benzamido-2-methylpropyl) benzoate?
(2-benzamido-2-methylpropyl) benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-methylpropyl) benzoate is sourced from PubChem (CID 10590100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).