4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C22H27N3O3 — CID 54836660

IUPAC4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(C)cc(NC(=O)CNc2ccc(C(=O)NCC3CCCO3)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-15-10-16(2)12-19(11-15)25-21(26)14-23-18-7-5-17(6-8-18)22(27)24-13-20-4-3-9-28-20/h5-8,10-12,20,23H,3-4,9,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyMVHFVHQLWJNYOU-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.26
Rot. Bonds7

About 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54836660) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54836660
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(C)cc(NC(=O)CNc2ccc(C(=O)NCC3CCCO3)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-15-10-16(2)12-19(11-15)25-21(26)14-23-18-7-5-17(6-8-18)22(27)24-13-20-4-3-9-28-20/h5-8,10-12,20,23H,3-4,9,13-14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyMVHFVHQLWJNYOU-UHFFFAOYSA-N
XLogP3.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.26
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
N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811884
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54818429
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836534
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
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-butan-2-yloxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54830059
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836696

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54836660) is 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is Cc1cc(C)cc(NC(=O)CNc2ccc(C(=O)NCC3CCCO3)cc2)c1.
What is the InChIKey of 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is MVHFVHQLWJNYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-10-16(2)12-19(11-15)25-21(26)14-23-18-7-5-17(6-8-18)22(27)24-13-20-4-3-9-28-20/h5-8,10-12,20,23H,3-4,9,13-14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54836660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).