N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide

C20H23N3O5 — CID 24980413

IUPACN-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C20H23N3O5/c1-21(9-14-28-17-5-3-2-4-6-17)20(24)18-15-16(23(25)26)7-8-19(18)22-10-12-27-13-11-22/h2-8,15H,9-14H2,1H3
InChIKeyRCQPANBIKCKHOI-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.58
Rot. Bonds7

About N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide

N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide (PubChem CID 24980413) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide
PubChem CID24980413
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C20H23N3O5/c1-21(9-14-28-17-5-3-2-4-6-17)20(24)18-15-16(23(25)26)7-8-19(18)22-10-12-27-13-11-22/h2-8,15H,9-14H2,1H3
InChIKeyRCQPANBIKCKHOI-UHFFFAOYSA-N
XLogP2.58
TPSA85.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide?
The IUPAC name of N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide (CID 24980413) is N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide?
The InChIKey is RCQPANBIKCKHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-21(9-14-28-17-5-3-2-4-6-17)20(24)18-15-16(23(25)26)7-8-19(18)22-10-12-27-13-11-22/h2-8,15H,9-14H2,1H3.
What are the key properties of N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide?
N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide has a molecular weight of 385.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-4-yl-5-nitro-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 24980413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).