N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C21H22N2O5 — CID 46542044

IUPACN-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22N2O5/c24-20(14-7-8-18-19(12-14)28-11-10-27-18)23-17-6-2-1-5-16(17)21(25)22-13-15-4-3-9-26-15/h1-2,5-8,12,15H,3-4,9-11,13H2,(H,22,25)(H,23,24)
InChIKeyULMORPWJYUZHIC-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 46542044) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID46542044
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22N2O5/c24-20(14-7-8-18-19(12-14)28-11-10-27-18)23-17-6-2-1-5-16(17)21(25)22-13-15-4-3-9-26-15/h1-2,5-8,12,15H,3-4,9-11,13H2,(H,22,25)(H,23,24)
InChIKeyULMORPWJYUZHIC-UHFFFAOYSA-N
XLogP2.62
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
N-(oxolan-2-ylmethyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 43013842
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 51278293
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
5-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 17467730
3-bromo-4-(oxolan-2-ylmethoxy)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17131771
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 46542044) is N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is ULMORPWJYUZHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-20(14-7-8-18-19(12-14)28-11-10-27-18)23-17-6-2-1-5-16(17)21(25)22-13-15-4-3-9-26-15/h1-2,5-8,12,15H,3-4,9-11,13H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 46542044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).