(NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine

C24H28N2O5 — CID 87613756

IUPAC(NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine
SMILESCOc1ccc2/c(=N\O)cc(-c3ccc(OCCCCN4CCOCC4)cc3)oc2c1
InChIInChI=1S/C24H28N2O5/c1-28-20-8-9-21-22(25-27)17-23(31-24(21)16-20)18-4-6-19(7-5-18)30-13-3-2-10-26-11-14-29-15-12-26/h4-9,16-17,27H,2-3,10-15H2,1H3/b25-22-
InChIKeySZDJBHLCKMGCGD-LVWGJNHUSA-N
MW424.50 g/mol
LogP3.89
Rot. Bonds8

About (NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine

(NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine (PubChem CID 87613756) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is (NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine
PubChem CID87613756
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name(NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine
SMILESCOc1ccc2/c(=N\O)cc(-c3ccc(OCCCCN4CCOCC4)cc3)oc2c1
InChIInChI=1S/C24H28N2O5/c1-28-20-8-9-21-22(25-27)17-23(31-24(21)16-20)18-4-6-19(7-5-18)30-13-3-2-10-26-11-14-29-15-12-26/h4-9,16-17,27H,2-3,10-15H2,1H3/b25-22-
InChIKeySZDJBHLCKMGCGD-LVWGJNHUSA-N
XLogP3.89
TPSA76.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

Acolbifene
CID 155435
rac-Acolbifene
CID 9804157
(3R,3aS)-7-Cyclopentyloxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
CID 11190988
Acetic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazol-7-ylester
CID 11259744
Acrylic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazol-7-ylester
CID 11260018
Dimethyl-(2-{(3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazol-7-yloxy}-ethyl)-amine
CID 11271808
(3R,3aS)-7-(2-Methoxy-ethoxy)-3-[4-((E)-2-methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
CID 11306100
Cyclopropanecarboxylic acid (3R,3aS)-3-[4-((E)-2-methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazol-7-yl ester
CID 11785068
(3R,3aS)-7-[2-(2-Ethoxy-ethoxy)-ethoxy]-3-[4-((E)-2-methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
CID 11785961
7-Methoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
CID 44324906
3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
CID 44324937
(3R,3aS)-7-Methoxy-3-[4-((E)-2-methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
CID 44387789

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine (CID 87613756) is (NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine is COc1ccc2/c(=N\O)cc(-c3ccc(OCCCCN4CCOCC4)cc3)oc2c1.
What is the InChIKey of (NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine?
The InChIKey is SZDJBHLCKMGCGD-LVWGJNHUSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-28-20-8-9-21-22(25-27)17-23(31-24(21)16-20)18-4-6-19(7-5-18)30-13-3-2-10-26-11-14-29-15-12-26/h4-9,16-17,27H,2-3,10-15H2,1H3/b25-22-.
What are the key properties of (NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine?
(NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine has a molecular weight of 424.50 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 87613756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).