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

C14H19N3O4 — CID 81330665

IUPACN-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2cccc(OC/C(N)=N/O)c2)O1
InChIInChI=1S/C14H19N3O4/c1-9-5-6-12(21-9)14(18)16-10-3-2-4-11(7-10)20-8-13(15)17-19/h2-4,7,9,12,19H,5-6,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyPAAZPYZWDLZBCL-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.32
Rot. Bonds5

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

N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide (PubChem CID 81330665) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide
PubChem CID81330665
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2cccc(OC/C(N)=N/O)c2)O1
InChIInChI=1S/C14H19N3O4/c1-9-5-6-12(21-9)14(18)16-10-3-2-4-11(7-10)20-8-13(15)17-19/h2-4,7,9,12,19H,5-6,8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyPAAZPYZWDLZBCL-UHFFFAOYSA-N
XLogP1.32
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.32
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

(2S,5R)-5-(aminomethyl)-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785449
N-(3-hydroxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330062
(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944592
(2S,5R)-5-(aminomethyl)-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 120786558
(2S,5R)-5-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]oxolane-2-carboxamide
CID 120786642
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide
CID 76953556
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 76930127
(2S,5R)-5-(aminomethyl)-N-(3-ethoxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120786061
4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;(NE)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylidene]hydroxylamine
CID 166159319
(2S,5R)-5-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxolane-2-carboxamide
CID 120787434
(2S,5R)-5-(aminomethyl)-N-[3-(3-methylbutoxy)phenyl]oxolane-2-carboxamide
CID 120790166
5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687992

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide (CID 81330665) is N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2cccc(OC/C(N)=N/O)c2)O1.
What is the InChIKey of N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide?
The InChIKey is PAAZPYZWDLZBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-5-6-12(21-9)14(18)16-10-3-2-4-11(7-10)20-8-13(15)17-19/h2-4,7,9,12,19H,5-6,8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide?
N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81330665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).