3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C21H25N3O4 — CID 54817562

IUPAC3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H25N3O4/c1-27-19-10-3-2-9-18(19)22-14-20(25)24-16-7-4-6-15(12-16)21(26)23-13-17-8-5-11-28-17/h2-4,6-7,9-10,12,17,22H,5,8,11,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyRGZJCHSLRWRKCY-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.65
Rot. Bonds8

About 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54817562) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54817562
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H25N3O4/c1-27-19-10-3-2-9-18(19)22-14-20(25)24-16-7-4-6-15(12-16)21(26)23-13-17-8-5-11-28-17/h2-4,6-7,9-10,12,17,22H,5,8,11,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyRGZJCHSLRWRKCY-UHFFFAOYSA-N
XLogP2.65
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813901
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54812102
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54837255
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837010
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54837162
methyl 4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoate
CID 17202291
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54817562) is 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is COc1ccccc1NCC(=O)Nc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RGZJCHSLRWRKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-19-10-3-2-9-18(19)22-14-20(25)24-16-7-4-6-15(12-16)21(26)23-13-17-8-5-11-28-17/h2-4,6-7,9-10,12,17,22H,5,8,11,13-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54817562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).