(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate

C17H17NO3 — CID 2519928

IUPAC(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-12-8-9-13(2)15(10-12)17(20)21-11-16(19)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeySWZOWHNTAULHQQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.10
Rot. Bonds4

About (2-anilino-2-oxoethyl) 2,5-dimethylbenzoate

(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate (PubChem CID 2519928) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2,5-dimethylbenzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
PubChem CID2519928
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H17NO3/c1-12-8-9-13(2)15(10-12)17(20)21-11-16(19)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeySWZOWHNTAULHQQ-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2336326
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520086
[2-(2-bromoanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520073
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 7604448
[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519930
(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519727
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229077
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate
CID 7472995
[2-(2,6-diethylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747216
[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519942
(2-anilino-2-oxoethyl) 3,4-dimethylbenzoate
CID 725026

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2,5-dimethylbenzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 2,5-dimethylbenzoate (CID 2519928) is (2-anilino-2-oxoethyl) 2,5-dimethylbenzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2,5-dimethylbenzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2,5-dimethylbenzoate is Cc1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2)c1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2,5-dimethylbenzoate?
The InChIKey is SWZOWHNTAULHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-8-9-13(2)15(10-12)17(20)21-11-16(19)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of (2-anilino-2-oxoethyl) 2,5-dimethylbenzoate?
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate has a molecular weight of 283.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2,5-dimethylbenzoate is sourced from PubChem (CID 2519928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).