N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline

C19H23N3O5 — CID 2854677

IUPACN-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline
SMILESCOc1ccccc1OCCNc1cc(N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O5/c1-25-18-4-2-3-5-19(18)27-11-8-20-16-14-15(6-7-17(16)22(23)24)21-9-12-26-13-10-21/h2-7,14,20H,8-13H2,1H3
InChIKeyFIZFQRGELLVZCI-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.93
Rot. Bonds8

About N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline

N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline (PubChem CID 2854677) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline
PubChem CID2854677
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline
SMILESCOc1ccccc1OCCNc1cc(N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O5/c1-25-18-4-2-3-5-19(18)27-11-8-20-16-14-15(6-7-17(16)22(23)24)21-9-12-26-13-10-21/h2-7,14,20H,8-13H2,1H3
InChIKeyFIZFQRGELLVZCI-UHFFFAOYSA-N
XLogP2.93
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline (CID 2854677) is N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline is COc1ccccc1OCCNc1cc(N2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline?
The InChIKey is FIZFQRGELLVZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-25-18-4-2-3-5-19(18)27-11-8-20-16-14-15(6-7-17(16)22(23)24)21-9-12-26-13-10-21/h2-7,14,20H,8-13H2,1H3.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline?
N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline has a molecular weight of 373.41 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline is sourced from PubChem (CID 2854677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).