N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide

C20H23N3O4 — CID 46430226

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H23N3O4/c1-13(2)22-20(25)23-16-5-3-4-15(11-16)19(24)21-12-14-6-7-17-18(10-14)27-9-8-26-17/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyJVZLNCMEZOFDHH-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.92
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 46430226) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID46430226
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C20H23N3O4/c1-13(2)22-20(25)23-16-5-3-4-15(11-16)19(24)21-12-14-6-7-17-18(10-14)27-9-8-26-17/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyJVZLNCMEZOFDHH-UHFFFAOYSA-N
XLogP2.92
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014
N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 39509628
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27761325
N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954955
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051273
3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide
CID 55830520
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109054904
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55722359
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
N-[(4-acetamidophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18154098

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide (CID 46430226) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is JVZLNCMEZOFDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)22-20(25)23-16-5-3-4-15(11-16)19(24)21-12-14-6-7-17-18(10-14)27-9-8-26-17/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 46430226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).