3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide

C23H29N3O4 — CID 54829734

IUPAC3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)CNc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C23H29N3O4/c1-16(2)25-23(28)17-7-5-8-18(13-17)26-22(27)14-24-20-10-3-4-11-21(20)30-15-19-9-6-12-29-19/h3-5,7-8,10-11,13,16,19,24H,6,9,12,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNANNQHPJLHQNBU-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.43
Rot. Bonds9

About 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide

3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54829734) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54829734
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)CNc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C23H29N3O4/c1-16(2)25-23(28)17-7-5-8-18(13-17)26-22(27)14-24-20-10-3-4-11-21(20)30-15-19-9-6-12-29-19/h3-5,7-8,10-11,13,16,19,24H,6,9,12,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNANNQHPJLHQNBU-UHFFFAOYSA-N
XLogP3.43
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829445
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829835
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54838811
N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54835219
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829537
N-[3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829542
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829760
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide (CID 54829734) is 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)CNc2ccccc2OCC2CCCO2)c1.
What is the InChIKey of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is NANNQHPJLHQNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16(2)25-23(28)17-7-5-8-18(13-17)26-22(27)14-24-20-10-3-4-11-21(20)30-15-19-9-6-12-29-19/h3-5,7-8,10-11,13,16,19,24H,6,9,12,14-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 411.50 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54829734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).