N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide

C19H21N3O5 — CID 66745649

IUPACN-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O5/c23-19(20-8-9-21-10-12-26-13-11-21)15-2-1-3-18(14-15)27-17-6-4-16(5-7-17)22(24)25/h1-7,14H,8-13H2,(H,20,23)
InChIKeyJMSSVNQUXSZUET-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.45
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide

N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide (PubChem CID 66745649) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide
PubChem CID66745649
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H21N3O5/c23-19(20-8-9-21-10-12-26-13-11-21)15-2-1-3-18(14-15)27-17-6-4-16(5-7-17)22(24)25/h1-7,14H,8-13H2,(H,20,23)
InChIKeyJMSSVNQUXSZUET-UHFFFAOYSA-N
XLogP2.45
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-(4-methyl-3-nitrophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
CID 58945392
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
(4-nitrophenyl) N-(3-morpholin-4-ylpropyl)carbamate
CID 155782764
3-(4-nitrophenoxy)benzoate
CID 3680439
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
N-[(2,5-dichlorophenyl)methyl]-3-(4-nitrophenoxy)benzamide
CID 171677644
(3S)-3-[3-(4-chlorophenoxy)phenyl]-N-(2-morpholin-4-ylethyl)-3-(5-nitro-1H-indol-3-yl)propanamide
CID 98444535
(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2166442

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide (CID 66745649) is N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide is O=C(NCCN1CCOCC1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide?
The InChIKey is JMSSVNQUXSZUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-19(20-8-9-21-10-12-26-13-11-21)15-2-1-3-18(14-15)27-17-6-4-16(5-7-17)22(24)25/h1-7,14H,8-13H2,(H,20,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide?
N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide has a molecular weight of 371.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide is sourced from PubChem (CID 66745649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).