N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide

C14H15N3O4 — CID 114822665

IUPACN-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC/C(N)=N/O)cc2)co1
InChIInChI=1S/C14H15N3O4/c1-9-6-10(7-20-9)14(18)16-11-2-4-12(5-3-11)21-8-13(15)17-19/h2-7,19H,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyBVZBOSCJPGJHQS-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.97
Rot. Bonds5

About N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide

N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide (PubChem CID 114822665) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide
PubChem CID114822665
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC/C(N)=N/O)cc2)co1
InChIInChI=1S/C14H15N3O4/c1-9-6-10(7-20-9)14(18)16-11-2-4-12(5-3-11)21-8-13(15)17-19/h2-7,19H,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyBVZBOSCJPGJHQS-UHFFFAOYSA-N
XLogP1.97
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-[(2E)-2-amino-2-hydroxyiminoethoxy]phenyl]-2-bromofuran-3-carboxamide
CID 106855744
N-[4-[(2E)-2-amino-2-hydroxyiminoethoxy]phenyl]pyrimidine-5-carboxamide
CID 102922503
N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide
CID 61277783
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822079
N-[4-(2-carbamoylphenoxy)phenyl]-5-methylfuran-3-carboxamide
CID 99824184
N-(4-amino-3-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818719
N-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylfuran-3-carboxamide
CID 168596816
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(dimethylamino)benzamide
CID 38381282
2-[4-(ethylsulfamoylamino)phenoxy]-N'-hydroxyethanimidamide
CID 114812273
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66158522
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide (CID 114822665) is N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OC/C(N)=N/O)cc2)co1.
What is the InChIKey of N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide?
The InChIKey is BVZBOSCJPGJHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-6-10(7-20-9)14(18)16-11-2-4-12(5-3-11)21-8-13(15)17-19/h2-7,19H,8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide?
N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114822665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).