4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide

C25H27N3O3 — CID 23988040

IUPAC4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(CNC(=O)NCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-18-6-8-19(9-7-18)15-27-25(30)28-17-21-5-3-4-20(14-21)16-26-24(29)22-10-12-23(31-2)13-11-22/h3-14H,15-17H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyPZQKVKKGGITPHP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.93
Rot. Bonds8

About 4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide

4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide (PubChem CID 23988040) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
PubChem CID23988040
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(CNC(=O)NCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-18-6-8-19(9-7-18)15-27-25(30)28-17-21-5-3-4-20(14-21)16-26-24(29)22-10-12-23(31-2)13-11-22/h3-14H,15-17H2,1-2H3,(H,26,29)(H2,27,28,30)
InChIKeyPZQKVKKGGITPHP-UHFFFAOYSA-N
XLogP3.93
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide
CID 23732897
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 144783368
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide
CID 86875243
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide (CID 23988040) is 4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(CNC(=O)NCc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide?
The InChIKey is PZQKVKKGGITPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18-6-8-19(9-7-18)15-27-25(30)28-17-21-5-3-4-20(14-21)16-26-24(29)22-10-12-23(31-2)13-11-22/h3-14H,15-17H2,1-2H3,(H,26,29)(H2,27,28,30).
What are the key properties of 4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide?
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 23988040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).