ethane;2-(2-methoxycarbonylanilino)benzoic acid

C19H25NO4 — CID 54418297

IUPACethane;2-(2-methoxycarbonylanilino)benzoic acid
SMILESCC.CC.COC(=O)c1ccccc1Nc1ccccc1C(=O)O
InChIInChI=1S/C15H13NO4.2C2H6/c1-20-15(19)11-7-3-5-9-13(11)16-12-8-4-2-6-10(12)14(17)18;2*1-2/h2-9,16H,1H3,(H,17,18);2*1-2H3
InChIKeyVYZSIXATUIFNLE-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.97
Rot. Bonds4

About ethane;2-(2-methoxycarbonylanilino)benzoic acid

ethane;2-(2-methoxycarbonylanilino)benzoic acid (PubChem CID 54418297) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is ethane;2-(2-methoxycarbonylanilino)benzoic acid.

Molecular Properties

Compound Nameethane;2-(2-methoxycarbonylanilino)benzoic acid
PubChem CID54418297
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Nameethane;2-(2-methoxycarbonylanilino)benzoic acid
SMILESCC.CC.COC(=O)c1ccccc1Nc1ccccc1C(=O)O
InChIInChI=1S/C15H13NO4.2C2H6/c1-20-15(19)11-7-3-5-9-13(11)16-12-8-4-2-6-10(12)14(17)18;2*1-2/h2-9,16H,1H3,(H,17,18);2*1-2H3
InChIKeyVYZSIXATUIFNLE-UHFFFAOYSA-N
XLogP4.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
methyl 2-(4-acetamidoanilino)benzoate
CID 112988409
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
methyl 2-(4-benzamidoanilino)benzoate
CID 112988422
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate
CID 112988435
2-amino-3-methoxycarbonylbenzoic acid
CID 2794812
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[(5-amino-6-anilinopyrimidin-4-yl)amino]benzoate
CID 19146204

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxycarbonylanilino)benzoic acid?
The IUPAC name of ethane;2-(2-methoxycarbonylanilino)benzoic acid (CID 54418297) is ethane;2-(2-methoxycarbonylanilino)benzoic acid.
What is the SMILES notation for ethane;2-(2-methoxycarbonylanilino)benzoic acid?
The canonical SMILES for ethane;2-(2-methoxycarbonylanilino)benzoic acid is CC.CC.COC(=O)c1ccccc1Nc1ccccc1C(=O)O.
What is the InChIKey of ethane;2-(2-methoxycarbonylanilino)benzoic acid?
The InChIKey is VYZSIXATUIFNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4.2C2H6/c1-20-15(19)11-7-3-5-9-13(11)16-12-8-4-2-6-10(12)14(17)18;2*1-2/h2-9,16H,1H3,(H,17,18);2*1-2H3.
What are the key properties of ethane;2-(2-methoxycarbonylanilino)benzoic acid?
ethane;2-(2-methoxycarbonylanilino)benzoic acid has a molecular weight of 331.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxycarbonylanilino)benzoic acid is sourced from PubChem (CID 54418297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).