4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide

C23H28N4O5 — CID 55527840

IUPAC4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H28N4O5/c1-2-31-19-11-5-16(6-12-19)22(29)24-15-21(28)26-17-7-9-18(10-8-17)27-23(30)25-14-20-4-3-13-32-20/h5-12,20H,2-4,13-15H2,1H3,(H,24,29)(H,26,28)(H2,25,27,30)
InChIKeyXDHBICFWXOKNCY-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.75
Rot. Bonds9

About 4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide

4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide (PubChem CID 55527840) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
PubChem CID55527840
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C23H28N4O5/c1-2-31-19-11-5-16(6-12-19)22(29)24-15-21(28)26-17-7-9-18(10-8-17)27-23(30)25-14-20-4-3-13-32-20/h5-12,20H,2-4,13-15H2,1H3,(H,24,29)(H,26,28)(H2,25,27,30)
InChIKeyXDHBICFWXOKNCY-UHFFFAOYSA-N
XLogP2.75
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884918
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-(4-propoxyphenyl)butanamide
CID 55527756
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
4-[[2-(cyclohexylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54816576
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
N-(oxolan-2-ylmethyl)-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54836568

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide (CID 55527840) is 4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide?
The InChIKey is XDHBICFWXOKNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-2-31-19-11-5-16(6-12-19)22(29)24-15-21(28)26-17-7-9-18(10-8-17)27-23(30)25-14-20-4-3-13-32-20/h5-12,20H,2-4,13-15H2,1H3,(H,24,29)(H,26,28)(H2,25,27,30).
What are the key properties of 4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide?
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide has a molecular weight of 440.50 g/mol, XLogP of 2.75, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide is sourced from PubChem (CID 55527840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).