N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide

C21H22N2O5 — CID 3241701

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C21H22N2O5/c24-20(22-12-16-13-27-17-4-1-2-5-18(17)28-16)14-7-9-15(10-8-14)23-21(25)19-6-3-11-26-19/h1-2,4-5,7-10,16,19H,3,6,11-13H2,(H,22,24)(H,23,25)
InChIKeyYGDUZEWCOWEVDK-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.37
Rot. Bonds5

About N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide

N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 3241701) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID3241701
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C21H22N2O5/c24-20(22-12-16-13-27-17-4-1-2-5-18(17)28-16)14-7-9-15(10-8-14)23-21(25)19-6-3-11-26-19/h1-2,4-5,7-10,16,19H,3,6,11-13H2,(H,22,24)(H,23,25)
InChIKeyYGDUZEWCOWEVDK-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-ethyl}-4-fluoro-benzamide
CID 10430183
N-(3-acetylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788379
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 2161567
N-[4-(benzylcarbamoyl)phenyl]furan-2-carboxamide
CID 977240
2-phenoxy-N-[4-(pyrrolidinylcarbonyl)phenyl]acetamide
CID 1246899
N-[4-(4-morpholinylmethyl)phenyl]-4-propoxybenzamide
CID 1617297
N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 2524725
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propanoylphenoxy)acetamide
CID 2542196
4-sec-butoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 2940925
3-Methyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acid p-tolylamide
CID 3145057
N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
Ethyl 4-{[(2-methoxyphenoxy)acetyl]amino}benzoate
CID 661259

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 3241701) is N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide is O=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is YGDUZEWCOWEVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c24-20(22-12-16-13-27-17-4-1-2-5-18(17)28-16)14-7-9-15(10-8-14)23-21(25)19-6-3-11-26-19/h1-2,4-5,7-10,16,19H,3,6,11-13H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3241701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).