N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide

C16H23N3O4 — CID 110673536

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide
SMILESCC(C)(C)CNC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23N3O4/c1-16(2,3)10-18-15(21)17-9-14(20)19-11-4-5-12-13(8-11)23-7-6-22-12/h4-5,8H,6-7,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyWYYPLMZZHXMPRP-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.74
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide (PubChem CID 110673536) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide
PubChem CID110673536
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide
SMILESCC(C)(C)CNC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23N3O4/c1-16(2,3)10-18-15(21)17-9-14(20)19-11-4-5-12-13(8-11)23-7-6-22-12/h4-5,8H,6-7,9-10H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyWYYPLMZZHXMPRP-UHFFFAOYSA-N
XLogP1.74
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 51310778
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-hydroxy-2-methylbutyl)amino]acetamide
CID 65111245
2-[(3-chlorophenyl)carbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110370543
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-methyl-2-(4-methylphenyl)propyl]urea
CID 113214268
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide
CID 110606306
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18108028
3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]propanamide
CID 110606365
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771944
2-[(3-chlorophenyl)methylcarbamoylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110615523
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110606294
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
CID 6460389
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetamide
CID 115609551

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide (CID 110673536) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide is CC(C)(C)CNC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide?
The InChIKey is WYYPLMZZHXMPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-16(2,3)10-18-15(21)17-9-14(20)19-11-4-5-12-13(8-11)23-7-6-22-12/h4-5,8H,6-7,9-10H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.74, 4 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-yl)-2-(2,2-dimethylpropylcarbamoylamino)acetamide is sourced from PubChem (CID 110673536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).