2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide

C20H23N3O5 — CID 9481549

IUPAC2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C20H23N3O5/c1-27-19-7-6-17(23(25)26)12-18(19)20(24)21-13-15-4-2-3-5-16(15)14-22-8-10-28-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)
InChIKeyFQUYYZMLEPZIED-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.37
Rot. Bonds7

About 2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide

2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide (PubChem CID 9481549) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
PubChem CID9481549
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C20H23N3O5/c1-27-19-7-6-17(23(25)26)12-18(19)20(24)21-13-15-4-2-3-5-16(15)14-22-8-10-28-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)
InChIKeyFQUYYZMLEPZIED-UHFFFAOYSA-N
XLogP2.37
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.37
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

2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256
N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 9209754
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 31444049
4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride
CID 119834795
7,13-bis[(2-methoxy-4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 72950986
N-[[2-(ethoxymethyl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55600348
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea
CID 24626912
4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide
CID 78810384
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
2-methoxy-5-nitro-N-[(4-thiomorpholin-4-ylphenyl)methyl]benzamide
CID 55855594

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide?
The IUPAC name of 2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide (CID 9481549) is 2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide?
The canonical SMILES for 2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide?
The InChIKey is FQUYYZMLEPZIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-19-7-6-17(23(25)26)12-18(19)20(24)21-13-15-4-2-3-5-16(15)14-22-8-10-28-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,24).
What are the key properties of 2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide?
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide has a molecular weight of 385.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide is sourced from PubChem (CID 9481549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).