(2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide

C14H21N3O3 — CID 137295692

IUPAC(2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide
SMILESCCCCC/N=C(NO)/C(=N\O)c1ccc(OC)cc1
InChIInChI=1S/C14H21N3O3/c1-3-4-5-10-15-14(17-19)13(16-18)11-6-8-12(20-2)9-7-11/h6-9,18-19H,3-5,10H2,1-2H3,(H,15,17)/b16-13-
InChIKeySXDKNZMNANVKPY-SSZFMOIBSA-N
MW279.34 g/mol
LogP2.44
Rot. Bonds7

About (2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide

(2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide (PubChem CID 137295692) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide.

Molecular Properties

Compound Name(2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide
PubChem CID137295692
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide
SMILESCCCCC/N=C(NO)/C(=N\O)c1ccc(OC)cc1
InChIInChI=1S/C14H21N3O3/c1-3-4-5-10-15-14(17-19)13(16-18)11-6-8-12(20-2)9-7-11/h6-9,18-19H,3-5,10H2,1-2H3,(H,15,17)/b16-13-
InChIKeySXDKNZMNANVKPY-SSZFMOIBSA-N
XLogP2.44
TPSA86.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

4-methoxy-N,N-dimethyl-N'-nonylbenzenecarboximidamide
CID 525636
(2Z)-N'-cyclohexyl-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)ethanimidamide
CID 177498957
N'-butyl-4-methoxy-N,N-dimethylbenzenecarboximidamide
CID 525616
(NZ)-N-[(4-methoxyphenyl)-(4-octoxyphenyl)methylidene]hydroxylamine
CID 6087643
N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide
CID 111161547
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine
CID 4658551
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
4-methoxy-N-pentylbenzamide
CID 3113360
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
N-[2-(hydroxyamino)-1-(4-methoxyphenyl)-2-methylpropylidene]hydroxylamine;hydrochloride
CID 2872295
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide?
The IUPAC name of (2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide (CID 137295692) is (2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide.
What is the SMILES notation for (2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide?
The canonical SMILES for (2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide is CCCCC/N=C(NO)/C(=N\O)c1ccc(OC)cc1.
What is the InChIKey of (2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide?
The InChIKey is SXDKNZMNANVKPY-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-5-10-15-14(17-19)13(16-18)11-6-8-12(20-2)9-7-11/h6-9,18-19H,3-5,10H2,1-2H3,(H,15,17)/b16-13-.
What are the key properties of (2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide?
(2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide has a molecular weight of 279.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-hydroxy-2-hydroxyimino-2-(4-methoxyphenyl)-N'-pentylethanimidamide is sourced from PubChem (CID 137295692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).