(NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine

C13H19NO3 — CID 113323073

IUPAC(NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine
SMILESCOCC(C)Oc1ccc(C/C(C)=N/O)cc1
InChIInChI=1S/C13H19NO3/c1-10(14-15)8-12-4-6-13(7-5-12)17-11(2)9-16-3/h4-7,11,15H,8-9H2,1-3H3/b14-10+
InChIKeyDEXPECIDGNFYPZ-GXDHUFHOSA-N
MW237.30 g/mol
LogP2.49
Rot. Bonds6

About (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine

(NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine (PubChem CID 113323073) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine
PubChem CID113323073
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine
SMILESCOCC(C)Oc1ccc(C/C(C)=N/O)cc1
InChIInChI=1S/C13H19NO3/c1-10(14-15)8-12-4-6-13(7-5-12)17-11(2)9-16-3/h4-7,11,15H,8-9H2,1-3H3/b14-10+
InChIKeyDEXPECIDGNFYPZ-GXDHUFHOSA-N
XLogP2.49
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2-[4-(1-methoxypropan-2-yloxy)phenyl]ethanimidamide
CID 77020797
(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495682
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]propan-1-ol
CID 114266726
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol
CID 115495613
(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
CID 91619623
N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine
CID 74031282
4-(2-hydroxyiminopropyl)phenol
CID 572036
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 79015794
(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
CID 91620735

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine (CID 113323073) is (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine is COCC(C)Oc1ccc(C/C(C)=N/O)cc1.
What is the InChIKey of (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine?
The InChIKey is DEXPECIDGNFYPZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(14-15)8-12-4-6-13(7-5-12)17-11(2)9-16-3/h4-7,11,15H,8-9H2,1-3H3/b14-10+.
What are the key properties of (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine?
(NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine has a molecular weight of 237.30 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 113323073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).