N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide

C23H29N3O4 — CID 56527051

IUPACN-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCN(C)CC2CCCO2)cc1
InChIInChI=1S/C23H29N3O4/c1-26(16-19-6-5-15-30-19)14-13-22(27)24-18-11-9-17(10-12-18)23(28)25-20-7-3-4-8-21(20)29-2/h3-4,7-12,19H,5-6,13-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyVKCDYYKZVAAZOD-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.39
Rot. Bonds9

About N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide

N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide (PubChem CID 56527051) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide
PubChem CID56527051
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCN(C)CC2CCCO2)cc1
InChIInChI=1S/C23H29N3O4/c1-26(16-19-6-5-15-30-19)14-13-22(27)24-18-11-9-17(10-12-18)23(28)25-20-7-3-4-8-21(20)29-2/h3-4,7-12,19H,5-6,13-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyVKCDYYKZVAAZOD-UHFFFAOYSA-N
XLogP3.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 16576369
N-(2-methoxyphenyl)-4-[3-(N-methylanilino)propanoylamino]benzamide
CID 52546324
4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 56525116
N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
CID 91842038
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
4-[3-[N-(2-hydroxypropyl)anilino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 56526790
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8583822
4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 46682622
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61430870
methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate
CID 56527077

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide (CID 56527051) is N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CCN(C)CC2CCCO2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide?
The InChIKey is VKCDYYKZVAAZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-26(16-19-6-5-15-30-19)14-13-22(27)24-18-11-9-17(10-12-18)23(28)25-20-7-3-4-8-21(20)29-2/h3-4,7-12,19H,5-6,13-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide?
N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide is sourced from PubChem (CID 56527051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).