4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide

C13H17N3O5 — CID 103548627

IUPAC4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NCC2COCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O5/c1-20-12-3-2-9(6-11(12)16(18)19)13(17)15-7-10-8-21-5-4-14-10/h2-3,6,10,14H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyZZRLBLWUGOIUDO-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.32
Rot. Bonds5

About 4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide

4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide (PubChem CID 103548627) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide
PubChem CID103548627
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NCC2COCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O5/c1-20-12-3-2-9(6-11(12)16(18)19)13(17)15-7-10-8-21-5-4-14-10/h2-3,6,10,14H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyZZRLBLWUGOIUDO-UHFFFAOYSA-N
XLogP0.32
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
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

3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512053
3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide
CID 115736888
4-ethoxy-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512043
4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548613
4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 55084346
N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
CID 83031412
4-ethyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514180
4-methoxy-N-(3-methyl-2-oxobutyl)-3-nitrobenzamide
CID 64996817
N-[2-(cycloheptylamino)ethyl]-4-methoxy-3-nitrobenzamide
CID 119620943
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 31719529
N-[3-(2-chloroethoxy)propyl]-4-methoxy-3-nitrobenzamide
CID 106306591

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide (CID 103548627) is 4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide is COc1ccc(C(=O)NCC2COCCN2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide?
The InChIKey is ZZRLBLWUGOIUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-20-12-3-2-9(6-11(12)16(18)19)13(17)15-7-10-8-21-5-4-14-10/h2-3,6,10,14H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of 4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide?
4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide has a molecular weight of 295.30 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide is sourced from PubChem (CID 103548627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).