4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide

C20H25N3O3 — CID 37215281

IUPAC4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CCC(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C20H25N3O3/c1-21-20(25)16-10-8-15(9-11-16)14-23(2)13-12-19(24)22-17-6-4-5-7-18(17)26-3/h4-11H,12-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyGSVFDWYRGHSLDF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.52
Rot. Bonds8

About 4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide

4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 37215281) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID37215281
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CCC(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C20H25N3O3/c1-21-20(25)16-10-8-15(9-11-16)14-23(2)13-12-19(24)22-17-6-4-5-7-18(17)26-3/h4-11H,12-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyGSVFDWYRGHSLDF-UHFFFAOYSA-N
XLogP2.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[[[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
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N-(2-methoxyphenyl)-4-[3-(N-methylanilino)propanoylamino]benzamide
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4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
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3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide
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N-(2-methoxyphenyl)-3-(methylamino)propanamide
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4-[[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003259
3-[benzyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
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N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide (CID 37215281) is 4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CCC(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of 4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is GSVFDWYRGHSLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-21-20(25)16-10-8-15(9-11-16)14-23(2)13-12-19(24)22-17-6-4-5-7-18(17)26-3/h4-11H,12-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 355.44 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 37215281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).