N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline

C19H23N3O5 — CID 3108299

IUPACN-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline
SMILESCOc1cccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O5/c1-25-16-3-2-4-17(14-16)27-10-7-20-18-13-15(5-6-19(18)22(23)24)21-8-11-26-12-9-21/h2-6,13-14,20H,7-12H2,1H3
InChIKeyRSMIAYBJEBVZMI-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.93
Rot. Bonds8

About N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline

N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline (PubChem CID 3108299) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline
PubChem CID3108299
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline
SMILESCOc1cccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O5/c1-25-16-3-2-4-17(14-16)27-10-7-20-18-13-15(5-6-19(18)22(23)24)21-8-11-26-12-9-21/h2-6,13-14,20H,7-12H2,1H3
InChIKeyRSMIAYBJEBVZMI-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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Related Compounds

N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
CID 2959576
N-[2-(3-methylphenoxy)ethyl]-5-morpholin-4-yl-2-nitrobenzamide
CID 9489245
5-[(3S,5S)-3,5-dimethylpiperazin-4-ium-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline
CID 7103878
N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline
CID 2915968
5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline
CID 3691797
N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-nitroaniline
CID 2870795
4-(tert-butylamino)-6-(3-methoxyphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)pyridazin-3-one
CID 69160744
N-[2-(4-chlorophenoxy)ethyl]-5-(3,5-dimethylpiperazin-1-yl)-2-nitroaniline
CID 2848518
N-[2-(3-aminophenoxy)ethyl]-5-fluoro-2-nitroaniline
CID 63238025
5-morpholin-4-yl-2-nitro-N-[(1R)-1-phenylethyl]aniline
CID 7099647
N-[(4-methoxy-3-nitrophenyl)methyl]-3-morpholin-4-ylaniline
CID 71913653
2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011465

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline (CID 3108299) is N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline is COc1cccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline?
The InChIKey is RSMIAYBJEBVZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-25-16-3-2-4-17(14-16)27-10-7-20-18-13-15(5-6-19(18)22(23)24)21-8-11-26-12-9-21/h2-6,13-14,20H,7-12H2,1H3.
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline?
N-[2-(3-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-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline is sourced from PubChem (CID 3108299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).