N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine

C22H28N2O3 — CID 6509996

IUPACN,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine
SMILESCCN(CC)CCO/N=C1/CC(c2ccc(OC)cc2)Oc2ccccc21
InChIInChI=1S/C22H28N2O3/c1-4-24(5-2)14-15-26-23-20-16-22(17-10-12-18(25-3)13-11-17)27-21-9-7-6-8-19(20)21/h6-13,22H,4-5,14-16H2,1-3H3/b23-20-
InChIKeyAWVZVRSNJDHHGY-ATJXCDBQSA-N
MW368.48 g/mol
LogP4.28
Rot. Bonds8

About N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine

N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine (PubChem CID 6509996) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine
PubChem CID6509996
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine
SMILESCCN(CC)CCO/N=C1/CC(c2ccc(OC)cc2)Oc2ccccc21
InChIInChI=1S/C22H28N2O3/c1-4-24(5-2)14-15-26-23-20-16-22(17-10-12-18(25-3)13-11-17)27-21-9-7-6-8-19(20)21/h6-13,22H,4-5,14-16H2,1-3H3/b23-20-
InChIKeyAWVZVRSNJDHHGY-ATJXCDBQSA-N
XLogP4.28
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine?
The IUPAC name of N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine (CID 6509996) is N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine?
The canonical SMILES for N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine is CCN(CC)CCO/N=C1/CC(c2ccc(OC)cc2)Oc2ccccc21.
What is the InChIKey of N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine?
The InChIKey is AWVZVRSNJDHHGY-ATJXCDBQSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-24(5-2)14-15-26-23-20-16-22(17-10-12-18(25-3)13-11-17)27-21-9-7-6-8-19(20)21/h6-13,22H,4-5,14-16H2,1-3H3/b23-20-.
What are the key properties of N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine?
N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine has a molecular weight of 368.48 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine is sourced from PubChem (CID 6509996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).