benzamido 2-methyl-2-phenylpropanoate

C17H17NO3 — CID 174594755

IUPACbenzamido 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)ONC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-17(2,14-11-7-4-8-12-14)16(20)21-18-15(19)13-9-5-3-6-10-13/h3-12H,1-2H3,(H,18,19)
InChIKeyHKVIVBFZMNTCHG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.85
Rot. Bonds3

About benzamido 2-methyl-2-phenylpropanoate

benzamido 2-methyl-2-phenylpropanoate (PubChem CID 174594755) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is benzamido 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Namebenzamido 2-methyl-2-phenylpropanoate
PubChem CID174594755
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namebenzamido 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)ONC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-17(2,14-11-7-4-8-12-14)16(20)21-18-15(19)13-9-5-3-6-10-13/h3-12H,1-2H3,(H,18,19)
InChIKeyHKVIVBFZMNTCHG-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzamido 2-amino-3,3-dimethylbutanoate
CID 57023501
benzamido acetate;ethane
CID 91379738
[4-(phenylcarbamoyl)phenyl]methyl 2-methyl-2-phenylpropanoate
CID 7984589
benzamido 2-methylbenzoate
CID 5260358
CID 91481469
CID 91481469
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
2-chloroethyl 2-methyl-2-phenylpropanoate
CID 12842805
N-(2-hydroxy-2-methylpropoxy)benzamide
CID 87971931
3-(1-methoxy-2-methyl-1-oxopropan-2-yl)benzoic acid
CID 116989106
methyl 2-(3-benzoylphenyl)-2-methylpropanoate
CID 54260282
methyl 3-(2-methyl-2-phenylpropanoyl)benzoate
CID 101188691
dibenzamido 2-(1-benzothiophen-2-ylmethyl)-2-methylpropanedioate
CID 90934101

Frequently Asked Questions

What is the IUPAC name of benzamido 2-methyl-2-phenylpropanoate?
The IUPAC name of benzamido 2-methyl-2-phenylpropanoate (CID 174594755) is benzamido 2-methyl-2-phenylpropanoate.
What is the SMILES notation for benzamido 2-methyl-2-phenylpropanoate?
The canonical SMILES for benzamido 2-methyl-2-phenylpropanoate is CC(C)(C(=O)ONC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzamido 2-methyl-2-phenylpropanoate?
The InChIKey is HKVIVBFZMNTCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(2,14-11-7-4-8-12-14)16(20)21-18-15(19)13-9-5-3-6-10-13/h3-12H,1-2H3,(H,18,19).
What are the key properties of benzamido 2-methyl-2-phenylpropanoate?
benzamido 2-methyl-2-phenylpropanoate has a molecular weight of 283.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 174594755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).