2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide

C28H27N3O4 — CID 55844320

IUPAC2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(Nc2ccccc2C(=O)NCc2ccc(OCc3ccncc3)c(OC)c2)cc1
InChIInChI=1S/C28H27N3O4/c1-33-23-10-8-22(9-11-23)31-25-6-4-3-5-24(25)28(32)30-18-21-7-12-26(27(17-21)34-2)35-19-20-13-15-29-16-14-20/h3-17,31H,18-19H2,1-2H3,(H,30,32)
InChIKeyYJNCLLGVRUMVFZ-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.35
Rot. Bonds10

About 2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide

2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55844320) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55844320
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(Nc2ccccc2C(=O)NCc2ccc(OCc3ccncc3)c(OC)c2)cc1
InChIInChI=1S/C28H27N3O4/c1-33-23-10-8-22(9-11-23)31-25-6-4-3-5-24(25)28(32)30-18-21-7-12-26(27(17-21)34-2)35-19-20-13-15-29-16-14-20/h3-17,31H,18-19H2,1-2H3,(H,30,32)
InChIKeyYJNCLLGVRUMVFZ-UHFFFAOYSA-N
XLogP5.35
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55843532
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47057863
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-propylsulfonylbenzamide
CID 55964647
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55857881
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55845333
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide
CID 47042624

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide (CID 55844320) is 2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide is COc1ccc(Nc2ccccc2C(=O)NCc2ccc(OCc3ccncc3)c(OC)c2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is YJNCLLGVRUMVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-33-23-10-8-22(9-11-23)31-25-6-4-3-5-24(25)28(32)30-18-21-7-12-26(27(17-21)34-2)35-19-20-13-15-29-16-14-20/h3-17,31H,18-19H2,1-2H3,(H,30,32).
What are the key properties of 2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide?
2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 469.54 g/mol, XLogP of 5.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55844320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).