3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C27H30N2O6 — CID 46593010

IUPAC3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C27H30N2O6/c1-18(2)35-21-12-9-19(10-13-21)16-28-27(31)20-11-14-24(25(15-20)33-4)34-17-26(30)29-22-7-5-6-8-23(22)32-3/h5-15,18H,16-17H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyNEZPVVVYMILICD-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.44
Rot. Bonds11

About 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 46593010) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID46593010
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C27H30N2O6/c1-18(2)35-21-12-9-19(10-13-21)16-28-27(31)20-11-14-24(25(15-20)33-4)34-17-26(30)29-22-7-5-6-8-23(22)32-3/h5-15,18H,16-17H2,1-4H3,(H,28,31)(H,29,30)
InChIKeyNEZPVVVYMILICD-UHFFFAOYSA-N
XLogP4.44
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
N-[2-(benzylamino)-2-oxoethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55676193
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55589061
N-(1-benzothiophen-3-ylmethyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55785516
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 3554862
N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 4798347
ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
CID 56558869
2-methylpropyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518174
N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 2418372
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126011349
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 41253948
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 4798518

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 46593010) is 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is COc1ccccc1NC(=O)COc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1OC.
What is the InChIKey of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is NEZPVVVYMILICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-18(2)35-21-12-9-19(10-13-21)16-28-27(31)20-11-14-24(25(15-20)33-4)34-17-26(30)29-22-7-5-6-8-23(22)32-3/h5-15,18H,16-17H2,1-4H3,(H,28,31)(H,29,30).
What are the key properties of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 478.55 g/mol, XLogP of 4.44, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 46593010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).