N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide

C17H25N3O3 — CID 54837066

IUPACN-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
SMILESCC(C)NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H25N3O3/c1-12(2)20-16(21)11-18-14-6-3-5-13(9-14)17(22)19-10-15-7-4-8-23-15/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPDVDLOBPJVTNBA-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.53
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide

N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide (PubChem CID 54837066) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
PubChem CID54837066
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
SMILESCC(C)NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H25N3O3/c1-12(2)20-16(21)11-18-14-6-3-5-13(9-14)17(22)19-10-15-7-4-8-23-15/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPDVDLOBPJVTNBA-UHFFFAOYSA-N
XLogP1.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842128
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54837162
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981
3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838784
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837191
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide (CID 54837066) is N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide is CC(C)NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide?
The InChIKey is PDVDLOBPJVTNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)20-16(21)11-18-14-6-3-5-13(9-14)17(22)19-10-15-7-4-8-23-15/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide?
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide has a molecular weight of 319.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide is sourced from PubChem (CID 54837066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).