4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C25H31N3O5 — CID 54829444

IUPAC4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CNc1ccccc1OCC1CCCO1)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C25H31N3O5/c29-24(16-26-22-7-1-2-8-23(22)33-17-21-6-4-14-32-21)28-19-11-9-18(10-12-19)25(30)27-15-20-5-3-13-31-20/h1-2,7-12,20-21,26H,3-6,13-17H2,(H,27,30)(H,28,29)
InChIKeyGBDRHAWNZDNZOQ-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.20
Rot. Bonds10

About 4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54829444) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54829444
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CNc1ccccc1OCC1CCCO1)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C25H31N3O5/c29-24(16-26-22-7-1-2-8-23(22)33-17-21-6-4-14-32-21)28-19-11-9-18(10-12-19)25(30)27-15-20-5-3-13-31-20/h1-2,7-12,20-21,26H,3-6,13-17H2,(H,27,30)(H,28,29)
InChIKeyGBDRHAWNZDNZOQ-UHFFFAOYSA-N
XLogP3.20
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829639
N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829760
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54844064
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54843141
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54818429
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829835
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836534
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54829444) is 4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(CNc1ccccc1OCC1CCCO1)Nc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is GBDRHAWNZDNZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c29-24(16-26-22-7-1-2-8-23(22)33-17-21-6-4-14-32-21)28-19-11-9-18(10-12-19)25(30)27-15-20-5-3-13-31-20/h1-2,7-12,20-21,26H,3-6,13-17H2,(H,27,30)(H,28,29).
What are the key properties of 4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 453.54 g/mol, XLogP of 3.20, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54829444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).