N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C27H29N3O6 — CID 4624634

IUPACN-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C27H29N3O6/c1-34-21-11-9-20(10-12-21)29-25(31)16-28-26(32)18-30(17-19-7-5-4-6-8-19)27(33)23-14-13-22(35-2)15-24(23)36-3/h4-15H,16-18H2,1-3H3,(H,28,32)(H,29,31)
InChIKeySVJSDYNKGNOECJ-UHFFFAOYSA-N
MW491.54 g/mol
LogP3.11
Rot. Bonds11

About N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 4624634) has the molecular formula C27H29N3O6 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID4624634
Molecular FormulaC27H29N3O6
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC NameN-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C27H29N3O6/c1-34-21-11-9-20(10-12-21)29-25(31)16-28-26(32)18-30(17-19-7-5-4-6-8-19)27(33)23-14-13-22(35-2)15-24(23)36-3/h4-15H,16-18H2,1-3H3,(H,28,32)(H,29,31)
InChIKeySVJSDYNKGNOECJ-UHFFFAOYSA-N
XLogP3.11
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4071473
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3498631
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 4071656
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4284142
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3904974
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 4071657
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055
2-[[2-(N-benzyl-4-methoxyanilino)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 16610921
N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 4623937
4-bromo-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4044086
2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3383343
N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 4064620

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 4624634) is N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is COc1ccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is SVJSDYNKGNOECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O6/c1-34-21-11-9-20(10-12-21)29-25(31)16-28-26(32)18-30(17-19-7-5-4-6-8-19)27(33)23-14-13-22(35-2)15-24(23)36-3/h4-15H,16-18H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 491.54 g/mol, XLogP of 3.11, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4624634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).