N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide

C15H19N3O3 — CID 76937001

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNC(CCN(C(=O)c1ccc2c(c1)CCO2)C1CC1)=NO
InChIInChI=1S/C15H19N3O3/c16-14(17-20)5-7-18(12-2-3-12)15(19)11-1-4-13-10(9-11)6-8-21-13/h1,4,9,12,20H,2-3,5-8H2,(H2,16,17)
InChIKeyGWHYMPZFWBXBNG-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.36
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 76937001) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID76937001
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNC(CCN(C(=O)c1ccc2c(c1)CCO2)C1CC1)=NO
InChIInChI=1S/C15H19N3O3/c16-14(17-20)5-7-18(12-2-3-12)15(19)11-1-4-13-10(9-11)6-8-21-13/h1,4,9,12,20H,2-3,5-8H2,(H2,16,17)
InChIKeyGWHYMPZFWBXBNG-UHFFFAOYSA-N
XLogP1.36
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76936987
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide
CID 54997157
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 79683756
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 76983754
N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79119316
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide
CID 76930113
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
CID 104639467
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 64521389
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020927
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone
CID 103456024
N-hydroxy-2,3-dihydro-1-benzofuran-5-carboximidoyl chloride
CID 112756407

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 76937001) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide is NC(CCN(C(=O)c1ccc2c(c1)CCO2)C1CC1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is GWHYMPZFWBXBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-14(17-20)5-7-18(12-2-3-12)15(19)11-1-4-13-10(9-11)6-8-21-13/h1,4,9,12,20H,2-3,5-8H2,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 76937001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).