N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide

C19H22N2O5 — CID 2956101

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O5/c1-12(2)10-14(21-19(23)16-4-3-7-24-16)18(22)20-13-5-6-15-17(11-13)26-9-8-25-15/h3-7,11-12,14H,8-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDPLBSTZPFDGATN-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.83
Rot. Bonds6

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide (PubChem CID 2956101) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
PubChem CID2956101
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O5/c1-12(2)10-14(21-19(23)16-4-3-7-24-16)18(22)20-13-5-6-15-17(11-13)26-9-8-25-15/h3-7,11-12,14H,8-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDPLBSTZPFDGATN-UHFFFAOYSA-N
XLogP2.83
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide (CID 2956101) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide is CC(C)CC(NC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide?
The InChIKey is DPLBSTZPFDGATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12(2)10-14(21-19(23)16-4-3-7-24-16)18(22)20-13-5-6-15-17(11-13)26-9-8-25-15/h3-7,11-12,14H,8-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2956101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).