N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

C20H20N4O5 — CID 73401740

IUPACN-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESCC(NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H20N4O5/c1-12(19(26)21-9-13-6-7-16-17(8-13)29-11-28-16)22-20(27)24-10-18(25)23-14-4-2-3-5-15(14)24/h2-8,12H,9-11H2,1H3,(H,21,26)(H,22,27)(H,23,25)
InChIKeyHUXGSKJUEDBPEK-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.59
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide

N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 73401740) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID73401740
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
SMILESCC(NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H20N4O5/c1-12(19(26)21-9-13-6-7-16-17(8-13)29-11-28-16)22-20(27)24-10-18(25)23-14-4-2-3-5-15(14)24/h2-8,12H,9-11H2,1H3,(H,21,26)(H,22,27)(H,23,25)
InChIKeyHUXGSKJUEDBPEK-UHFFFAOYSA-N
XLogP1.59
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 124651411
4-[(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8924570
4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8746830
4-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 9406687
4-[(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 9406689
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18161939
benzyl N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate
CID 17443048
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9035778
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 2566489
(2R)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)propanoic acid
CID 908999
2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
CID 78446048
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110348403

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide (CID 73401740) is N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is CC(NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is HUXGSKJUEDBPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-12(19(26)21-9-13-6-7-16-17(8-13)29-11-28-16)22-20(27)24-10-18(25)23-14-4-2-3-5-15(14)24/h2-8,12H,9-11H2,1H3,(H,21,26)(H,22,27)(H,23,25).
What are the key properties of N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide?
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 73401740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).