4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide

C19H22N4O4 — CID 78810384

IUPAC4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide
SMILESNc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O4/c20-17-6-5-14(11-18(17)23(25)26)19(24)21-12-15-3-1-2-4-16(15)13-22-7-9-27-10-8-22/h1-6,11H,7-10,12-13,20H2,(H,21,24)
InChIKeyRBCJVRNGEGRRQP-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.94
Rot. Bonds6

About 4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide

4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide (PubChem CID 78810384) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide
PubChem CID78810384
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide
SMILESNc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O4/c20-17-6-5-14(11-18(17)23(25)26)19(24)21-12-15-3-1-2-4-16(15)13-22-7-9-27-10-8-22/h1-6,11H,7-10,12-13,20H2,(H,21,24)
InChIKeyRBCJVRNGEGRRQP-UHFFFAOYSA-N
XLogP1.94
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(morpholin-4-ylmethyl)phenyl]methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 31444049
4-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide
CID 46578636
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123
3-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481167
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
4-amino-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62350667
3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide
CID 86711001
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 9481549
2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea
CID 24626912
5-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-nitro-1H-pyrazole-3-carboxamide
CID 138993303

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide?
The IUPAC name of 4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide (CID 78810384) is 4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide is Nc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide?
The InChIKey is RBCJVRNGEGRRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c20-17-6-5-14(11-18(17)23(25)26)19(24)21-12-15-3-1-2-4-16(15)13-22-7-9-27-10-8-22/h1-6,11H,7-10,12-13,20H2,(H,21,24).
What are the key properties of 4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide?
4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide has a molecular weight of 370.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide is sourced from PubChem (CID 78810384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).