N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide

C31H29N3O6 — CID 3123999

IUPACN-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccc(O)cc2)C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C31H29N3O6/c1-39-23-17-13-21(14-18-23)29(36)32-25-8-4-3-7-24(25)30(37)34-27(19-20-11-15-22(35)16-12-20)31(38)33-26-9-5-6-10-28(26)40-2/h3-18,27,35H,19H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)
InChIKeyUSUDKSRYQVATTH-UHFFFAOYSA-N
MW539.59 g/mol
LogP4.64
Rot. Bonds10

About N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide

N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 3123999) has the molecular formula C31H29N3O6 and a molecular weight of 539.59 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID3123999
Molecular FormulaC31H29N3O6
Molecular Weight539.59 g/mol
Exact Mass539.21
IUPAC NameN-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccc(O)cc2)C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C31H29N3O6/c1-39-23-17-13-21(14-18-23)29(36)32-25-8-4-3-7-24(25)30(37)34-27(19-20-11-15-22(35)16-12-20)31(38)33-26-9-5-6-10-28(26)40-2/h3-18,27,35H,19H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)
InChIKeyUSUDKSRYQVATTH-UHFFFAOYSA-N
XLogP4.64
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.59
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 3124002
N-[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112023
N-[(2R)-3-(4-hydroxyphenyl)-1-(3-methylanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112073
N-[(2S)-1-(cycloheptylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112068
2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 13293155
2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
2-benzamido-N-[(2S)-1-(2-bromoanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 2173066
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 33275819
(2S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 7828591
2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3123973
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 3123966

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (CID 3123999) is N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccc(O)cc2)C(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is USUDKSRYQVATTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O6/c1-39-23-17-13-21(14-18-23)29(36)32-25-8-4-3-7-24(25)30(37)34-27(19-20-11-15-22(35)16-12-20)31(38)33-26-9-5-6-10-28(26)40-2/h3-18,27,35H,19H2,1-2H3,(H,32,36)(H,33,38)(H,34,37).
What are the key properties of N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 539.59 g/mol, XLogP of 4.64, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 3123999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).