2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide

C18H18N4O5 — CID 16606582

IUPAC2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N4O5/c19-17(24)12-3-1-2-4-13(12)20-10-16(23)22-18(25)21-11-5-6-14-15(9-11)27-8-7-26-14/h1-6,9,20H,7-8,10H2,(H2,19,24)(H2,21,22,23,25)
InChIKeyRSVBJHJPRDPWDK-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.32
Rot. Bonds5

About 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide (PubChem CID 16606582) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide
PubChem CID16606582
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18N4O5/c19-17(24)12-3-1-2-4-13(12)20-10-16(23)22-18(25)21-11-5-6-14-15(9-11)27-8-7-26-14/h1-6,9,20H,7-8,10H2,(H2,19,24)(H2,21,22,23,25)
InChIKeyRSVBJHJPRDPWDK-UHFFFAOYSA-N
XLogP1.32
TPSA131.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613749
N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 4824789
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26417495
2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]amino]benzamide
CID 32907148
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613689
2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 16606580
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573026
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-iodobenzoate
CID 2555712
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2585719
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30717019
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylbenzoyl)benzoate
CID 30196257

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide (CID 16606582) is 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide is NC(=O)c1ccccc1NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is RSVBJHJPRDPWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c19-17(24)12-3-1-2-4-13(12)20-10-16(23)22-18(25)21-11-5-6-14-15(9-11)27-8-7-26-14/h1-6,9,20H,7-8,10H2,(H2,19,24)(H2,21,22,23,25).
What are the key properties of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide?
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 370.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 16606582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).