N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide

C14H19N3O4 — CID 155954661

IUPACN,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide
SMILESCC1Cc2cc(NC(=O)NOCC(=O)N(C)C)ccc2O1
InChIInChI=1S/C14H19N3O4/c1-9-6-10-7-11(4-5-12(10)21-9)15-14(19)16-20-8-13(18)17(2)3/h4-5,7,9H,6,8H2,1-3H3,(H2,15,16,19)
InChIKeyCECGFOFPRXVDBQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.15
Rot. Bonds4

About N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide

N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide (PubChem CID 155954661) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide
PubChem CID155954661
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide
SMILESCC1Cc2cc(NC(=O)NOCC(=O)N(C)C)ccc2O1
InChIInChI=1S/C14H19N3O4/c1-9-6-10-7-11(4-5-12(10)21-9)15-14(19)16-20-8-13(18)17(2)3/h4-5,7,9H,6,8H2,1-3H3,(H2,15,16,19)
InChIKeyCECGFOFPRXVDBQ-UHFFFAOYSA-N
XLogP1.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 125161415
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide
CID 131901784
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782602
N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide
CID 97445054
6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 125167835
ethyl 2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 55017028
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]acetamide
CID 164641742
diethyl-[(2S)-1-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]amino]-1-oxohexan-2-yl]azanium
CID 7087963
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propanamide
CID 131924029
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]urea
CID 125179364
1-(2-methoxyethyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 72897078
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-N,N-dimethylpropanamide
CID 78989547

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide?
The IUPAC name of N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide (CID 155954661) is N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide?
The canonical SMILES for N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide is CC1Cc2cc(NC(=O)NOCC(=O)N(C)C)ccc2O1.
What is the InChIKey of N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide?
The InChIKey is CECGFOFPRXVDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-6-10-7-11(4-5-12(10)21-9)15-14(19)16-20-8-13(18)17(2)3/h4-5,7,9H,6,8H2,1-3H3,(H2,15,16,19).
What are the key properties of N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide?
N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide has a molecular weight of 293.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbamoylamino]oxyacetamide is sourced from PubChem (CID 155954661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).