propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate

C12H17N3O3 — CID 55057847

IUPACpropan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(C/C(N)=N/O)cc1
InChIInChI=1S/C12H17N3O3/c1-8(2)18-12(16)14-10-5-3-9(4-6-10)7-11(13)15-17/h3-6,8,17H,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyYOMWKNXSCYSZLO-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.93
Rot. Bonds4

About propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate

propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate (PubChem CID 55057847) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate
PubChem CID55057847
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namepropan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(C/C(N)=N/O)cc1
InChIInChI=1S/C12H17N3O3/c1-8(2)18-12(16)14-10-5-3-9(4-6-10)7-11(13)15-17/h3-6,8,17H,7H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyYOMWKNXSCYSZLO-UHFFFAOYSA-N
XLogP1.93
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.93
H-Bond Donors ≤ 53
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-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2-methoxypropanamide
CID 113374820
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 76938578
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 76938619
propan-2-yl N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]carbamate
CID 136827823
propan-2-yl N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbamate
CID 62315641
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]thiadiazole-5-carboxamide
CID 77060431
N-[4-[(2E)-2-amino-2-hydroxyiminoethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 104639473
2-methylpropyl N-[4-(2-amino-2-sulfanylideneethyl)phenyl]carbamate
CID 62302077
2-[4-(propan-2-yloxycarbonylamino)phenoxy]acetic acid
CID 63772697
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
CID 76938616
[4-(2-amino-2-hydroxyiminoethyl)phenyl] N-tert-butylcarbamate
CID 175154963

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate (CID 55057847) is propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(C/C(N)=N/O)cc1.
What is the InChIKey of propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate?
The InChIKey is YOMWKNXSCYSZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)18-12(16)14-10-5-3-9(4-6-10)7-11(13)15-17/h3-6,8,17H,7H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate?
propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate has a molecular weight of 251.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate is sourced from PubChem (CID 55057847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).