3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

C27H28N2O5 — CID 55339885

IUPAC3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)NC2CCc3ccccc3C2)cc1OC
InChIInChI=1S/C27H28N2O5/c1-32-23-10-6-5-9-22(23)29-26(30)17-34-24-14-12-20(16-25(24)33-2)27(31)28-21-13-11-18-7-3-4-8-19(18)15-21/h3-10,12,14,16,21H,11,13,15,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyOBYHKACDUCEATJ-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.01
Rot. Bonds8

About 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 55339885) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
PubChem CID55339885
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)NC2CCc3ccccc3C2)cc1OC
InChIInChI=1S/C27H28N2O5/c1-32-23-10-6-5-9-22(23)29-26(30)17-34-24-14-12-20(16-25(24)33-2)27(31)28-21-13-11-18-7-3-4-8-19(18)15-21/h3-10,12,14,16,21H,11,13,15,17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyOBYHKACDUCEATJ-UHFFFAOYSA-N
XLogP4.01
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667
ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
CID 56558869
2-[4-(azetidine-1-carbonyl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 17439322
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 46559779
N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 2418372
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484
N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 3554862
N-[2-(benzylamino)-2-oxoethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55676193
2-hydroxyethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 32697010
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098259

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (CID 55339885) is 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is COc1ccccc1NC(=O)COc1ccc(C(=O)NC2CCc3ccccc3C2)cc1OC.
What is the InChIKey of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is OBYHKACDUCEATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-32-23-10-6-5-9-22(23)29-26(30)17-34-24-14-12-20(16-25(24)33-2)27(31)28-21-13-11-18-7-3-4-8-19(18)15-21/h3-10,12,14,16,21H,11,13,15,17H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 460.53 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 55339885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).