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

C23H29N3O3 — CID 54837162

IUPACN-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
SMILESCC(C)c1ccccc1NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H29N3O3/c1-16(2)20-10-3-4-11-21(20)26-22(27)15-24-18-8-5-7-17(13-18)23(28)25-14-19-9-6-12-29-19/h3-5,7-8,10-11,13,16,19,24H,6,9,12,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCCVJEYLGTJVUME-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.77
Rot. Bonds8

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

N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide (PubChem CID 54837162) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
PubChem CID54837162
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
SMILESCC(C)c1ccccc1NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H29N3O3/c1-16(2)20-10-3-4-11-21(20)26-22(27)15-24-18-8-5-7-17(13-18)23(28)25-14-19-9-6-12-29-19/h3-5,7-8,10-11,13,16,19,24H,6,9,12,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCCVJEYLGTJVUME-UHFFFAOYSA-N
XLogP3.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837036
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830
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-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54812102
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

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide (CID 54837162) is N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide is CC(C)c1ccccc1NC(=O)CNc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide?
The InChIKey is CCVJEYLGTJVUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)20-10-3-4-11-21(20)26-22(27)15-24-18-8-5-7-17(13-18)23(28)25-14-19-9-6-12-29-19/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 N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide?
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.77, 8 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-(2-propan-2-ylanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54837162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).