2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid

C18H17NO5 — CID 59772153

IUPAC2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid
SMILESCOC(=O)CN(CC(=O)O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17NO5/c1-24-17(22)12-19(11-16(20)21)15-9-7-14(8-10-15)18(23)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyZQYSOMQGKKGNDZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.98
Rot. Bonds7

About 2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid

2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid (PubChem CID 59772153) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid
PubChem CID59772153
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid
SMILESCOC(=O)CN(CC(=O)O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H17NO5/c1-24-17(22)12-19(11-16(20)21)15-9-7-14(8-10-15)18(23)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyZQYSOMQGKKGNDZ-UHFFFAOYSA-N
XLogP1.98
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
2-(N-[2-(4-benzoylphenoxy)-2-oxoethyl]anilino)acetic acid
CID 59772116
2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 58908238
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
methyl 2-[N-(aminomethyl)anilino]acetate
CID 174634424
methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride
CID 174634423
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
[4-[bis[4-[bis(2-methoxy-2-oxoethyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]nickel
CID 170959340
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
CID 62956796

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid?
The IUPAC name of 2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid (CID 59772153) is 2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid?
The canonical SMILES for 2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid is COC(=O)CN(CC(=O)O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid?
The InChIKey is ZQYSOMQGKKGNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-24-17(22)12-19(11-16(20)21)15-9-7-14(8-10-15)18(23)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid?
2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid has a molecular weight of 327.34 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid is sourced from PubChem (CID 59772153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).