(NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine

C12H18N2O2 — CID 56668464

IUPAC(NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine
SMILESCOc1ccc(/C(CNC(C)C)=N/O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(2)13-8-12(14-15)10-4-6-11(16-3)7-5-10/h4-7,9,13,15H,8H2,1-3H3/b14-12+
InChIKeyTTZOVRPNEFQNGB-WYMLVPIESA-N
MW222.29 g/mol
LogP1.87
Rot. Bonds5

About (NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine

(NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine (PubChem CID 56668464) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine
PubChem CID56668464
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine
SMILESCOc1ccc(/C(CNC(C)C)=N/O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(2)13-8-12(14-15)10-4-6-11(16-3)7-5-10/h4-7,9,13,15H,8H2,1-3H3/b14-12+
InChIKeyTTZOVRPNEFQNGB-WYMLVPIESA-N
XLogP1.87
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
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'}

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Related Compounds

(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
(NE)-N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5402606
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide
CID 81364426
N'-hydroxy-4-methoxy-N-methyl-N-propan-2-ylbenzenecarboximidamide
CID 134110506
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683403
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381
N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine (CID 56668464) is (NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine is COc1ccc(/C(CNC(C)C)=N/O)cc1.
What is the InChIKey of (NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine?
The InChIKey is TTZOVRPNEFQNGB-WYMLVPIESA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)13-8-12(14-15)10-4-6-11(16-3)7-5-10/h4-7,9,13,15H,8H2,1-3H3/b14-12+.
What are the key properties of (NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine?
(NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine has a molecular weight of 222.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-methoxyphenyl)-2-(propan-2-ylamino)ethylidene]hydroxylamine is sourced from PubChem (CID 56668464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).