3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide

C26H30N2O3 — CID 17058003

IUPAC3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide
SMILESCOc1cccc(CNc2cccc(C(=O)NCC(C)C)c2)c1OCc1ccccc1
InChIInChI=1S/C26H30N2O3/c1-19(2)16-28-26(29)21-11-7-13-23(15-21)27-17-22-12-8-14-24(30-3)25(22)31-18-20-9-5-4-6-10-20/h4-15,19,27H,16-18H2,1-3H3,(H,28,29)
InChIKeyKWDUOBFPGBZEGI-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.27
Rot. Bonds10

About 3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide

3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide (PubChem CID 17058003) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide
PubChem CID17058003
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide
SMILESCOc1cccc(CNc2cccc(C(=O)NCC(C)C)c2)c1OCc1ccccc1
InChIInChI=1S/C26H30N2O3/c1-19(2)16-28-26(29)21-11-7-13-23(15-21)27-17-22-12-8-14-24(30-3)25(22)31-18-20-9-5-4-6-10-20/h4-15,19,27H,16-18H2,1-3H3,(H,28,29)
InChIKeyKWDUOBFPGBZEGI-UHFFFAOYSA-N
XLogP5.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-N-(2-methylpropyl)benzamide
CID 17058200
3-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-N-(2-methylpropyl)benzamide
CID 17058190
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
5-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]benzimidazol-2-one;hydrochloride
CID 73362904
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 20992900
3-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-N-(2-methylpropyl)benzamide
CID 17058076
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248461
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983
3-[[2-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-hydroxyethoxy]phenyl]methylamino]-N-(2-methylpropyl)benzamide
CID 17058166
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27446104
4-methoxy-3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]benzoic acid
CID 17058758

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide (CID 17058003) is 3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide is COc1cccc(CNc2cccc(C(=O)NCC(C)C)c2)c1OCc1ccccc1.
What is the InChIKey of 3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is KWDUOBFPGBZEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-19(2)16-28-26(29)21-11-7-13-23(15-21)27-17-22-12-8-14-24(30-3)25(22)31-18-20-9-5-4-6-10-20/h4-15,19,27H,16-18H2,1-3H3,(H,28,29).
What are the key properties of 3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide?
3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 418.54 g/mol, XLogP of 5.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 17058003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).