N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine

C16H21NO5 — CID 141026954

IUPACN-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine
SMILESCOCOc1ccc(C2=CCCCC2=NO)c(OCOC)c1
InChIInChI=1S/C16H21NO5/c1-19-10-21-12-7-8-14(16(9-12)22-11-20-2)13-5-3-4-6-15(13)17-18/h5,7-9,18H,3-4,6,10-11H2,1-2H3
InChIKeyDJEQLALBVQOBPX-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.05
Rot. Bonds7

About N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine

N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine (PubChem CID 141026954) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine
PubChem CID141026954
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC NameN-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine
SMILESCOCOc1ccc(C2=CCCCC2=NO)c(OCOC)c1
InChIInChI=1S/C16H21NO5/c1-19-10-21-12-7-8-14(16(9-12)22-11-20-2)13-5-3-4-6-15(13)17-18/h5,7-9,18H,3-4,6,10-11H2,1-2H3
InChIKeyDJEQLALBVQOBPX-UHFFFAOYSA-N
XLogP3.05
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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'}

Analyze N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-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

3-[2,4-bis(methoxymethoxy)phenyl]cyclopent-2-en-1-one;4-(3-hydroxyiminocyclopenten-1-yl)benzene-1,3-diol
CID 159072852
2-[2,4-bis(methoxymethoxy)phenyl]ethanol
CID 175027398
1,4-bis(methoxymethoxy)benzene
CID 542643
[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201
(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129395976
4-bromobenzene-1,3-diol;1-bromo-2,4-bis(methoxymethoxy)benzene
CID 157301717
cis-methyl (1S,2R)-2-[2,4-bis(methoxymethoxy)phenyl]cyclopentane-1-carboxylate
CID 58862290
2-[[4-(cyanomethoxy)-7-(methoxymethoxy)-9,10-dihydrophenanthren-2-yl]oxy]acetonitrile
CID 11245034
4-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]phenol
CID 71619534
4-[2,4-bis(methoxymethoxy)phenyl]-2,6-dimethyloxan-4-ol
CID 66744767
methyl 3-[2,4-bis(methoxymethoxy)phenyl]prop-2-ynoate
CID 134859376
butan-1-ol;N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 163782132

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine?
The IUPAC name of N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine (CID 141026954) is N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine is COCOc1ccc(C2=CCCCC2=NO)c(OCOC)c1.
What is the InChIKey of N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine?
The InChIKey is DJEQLALBVQOBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-19-10-21-12-7-8-14(16(9-12)22-11-20-2)13-5-3-4-6-15(13)17-18/h5,7-9,18H,3-4,6,10-11H2,1-2H3.
What are the key properties of N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine?
N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine has a molecular weight of 307.35 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,4-bis(methoxymethoxy)phenyl]cyclohex-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 141026954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).