N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide

C22H20N2O6 — CID 41324439

IUPACN-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide
SMILESC[C@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20N2O6/c1-14(21(25)24-16-6-9-18-20(13-16)29-12-11-28-18)30-17-7-4-15(5-8-17)23-22(26)19-3-2-10-27-19/h2-10,13-14H,11-12H2,1H3,(H,23,26)(H,24,25)/t14-/m0/s1
InChIKeySRIOZDYSKKPXGB-AWEZNQCLSA-N
MW408.41 g/mol
LogP3.71
Rot. Bonds6

About N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide

N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide (PubChem CID 41324439) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide
PubChem CID41324439
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC NameN-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide
SMILESC[C@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20N2O6/c1-14(21(25)24-16-6-9-18-20(13-16)29-12-11-28-18)30-17-7-4-15(5-8-17)23-22(26)19-3-2-10-27-19/h2-10,13-14H,11-12H2,1H3,(H,23,26)(H,24,25)/t14-/m0/s1
InChIKeySRIOZDYSKKPXGB-AWEZNQCLSA-N
XLogP3.71
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622
N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 46686822
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)propanamide
CID 7894309
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062763
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893768
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-bromophenoxy)propanamide
CID 7477288
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955901
N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
CID 53266903
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698388
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94206602

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide (CID 41324439) is N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide is C[C@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide?
The InChIKey is SRIOZDYSKKPXGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-14(21(25)24-16-6-9-18-20(13-16)29-12-11-28-18)30-17-7-4-15(5-8-17)23-22(26)19-3-2-10-27-19/h2-10,13-14H,11-12H2,1H3,(H,23,26)(H,24,25)/t14-/m0/s1.
What are the key properties of N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide?
N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 41324439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).