(NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine

C20H33NO3 — CID 6534422

IUPAC(NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine
SMILESCCCCCCCCCCC/C(=N/O)c1ccc(OC)cc1OC
InChIInChI=1S/C20H33NO3/c1-4-5-6-7-8-9-10-11-12-13-19(21-22)18-15-14-17(23-2)16-20(18)24-3/h14-16,22H,4-13H2,1-3H3/b21-19-
InChIKeyUNVUERRJNIDPEW-VZCXRCSSSA-N
MW335.49 g/mol
LogP5.80
Rot. Bonds13

About (NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine

(NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine (PubChem CID 6534422) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is (NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine
PubChem CID6534422
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name(NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine
SMILESCCCCCCCCCCC/C(=N/O)c1ccc(OC)cc1OC
InChIInChI=1S/C20H33NO3/c1-4-5-6-7-8-9-10-11-12-13-19(21-22)18-15-14-17(23-2)16-20(18)24-3/h14-16,22H,4-13H2,1-3H3/b21-19-
InChIKeyUNVUERRJNIDPEW-VZCXRCSSSA-N
XLogP5.80
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2,4-dimethoxy-1-oct-1-en-2-ylbenzene
CID 101483089
5-butoxy-2-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135699539
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 4282509
4-butoxy-2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135615488
(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid
CID 10516728
2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
4-ethoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 5139795
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine
CID 4658551
6-[(E)-C-heptyl-N-hydroxycarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
CID 10594625
6-(C-hexyl-N-hydroxycarbonimidoyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 86206538
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
(4-methoxy-2-nonanoyloxyphenyl) nonanoate
CID 140675759

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine (CID 6534422) is (NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine is CCCCCCCCCCC/C(=N/O)c1ccc(OC)cc1OC.
What is the InChIKey of (NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine?
The InChIKey is UNVUERRJNIDPEW-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H33NO3/c1-4-5-6-7-8-9-10-11-12-13-19(21-22)18-15-14-17(23-2)16-20(18)24-3/h14-16,22H,4-13H2,1-3H3/b21-19-.
What are the key properties of (NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine?
(NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine has a molecular weight of 335.49 g/mol, XLogP of 5.80, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine is sourced from PubChem (CID 6534422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).