N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide

C23H29N3O3 — CID 54811884

IUPACN-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
SMILESCc1cc(C)c(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)c(C)c1
InChIInChI=1S/C23H29N3O3/c1-15-11-16(2)22(17(3)12-15)24-14-21(27)26-19-8-6-18(7-9-19)23(28)25-13-20-5-4-10-29-20/h6-9,11-12,20,24H,4-5,10,13-14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyOIWDLEDYYVIARC-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.57
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide

N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide (PubChem CID 54811884) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
PubChem CID54811884
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
SMILESCc1cc(C)c(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)c(C)c1
InChIInChI=1S/C23H29N3O3/c1-15-11-16(2)22(17(3)12-15)24-14-21(27)26-19-8-6-18(7-9-19)23(28)25-13-20-5-4-10-29-20/h6-9,11-12,20,24H,4-5,10,13-14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyOIWDLEDYYVIARC-UHFFFAOYSA-N
XLogP3.57
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54818429
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838784
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
4-[[2-(cyclohexylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54816576
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide (CID 54811884) is N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide is Cc1cc(C)c(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)c(C)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
The InChIKey is OIWDLEDYYVIARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-11-16(2)22(17(3)12-15)24-14-21(27)26-19-8-6-18(7-9-19)23(28)25-13-20-5-4-10-29-20/h6-9,11-12,20,24H,4-5,10,13-14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide?
N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.57, 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)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54811884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).