N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide

C19H21N3O5 — CID 7409554

IUPACN-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O5/c1-26-16-5-2-14(3-6-16)13-20-19(23)17-12-15(22(24)25)4-7-18(17)21-8-10-27-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyRLGREWWBEBRDDM-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.37
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide

N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 7409554) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID7409554
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H21N3O5/c1-26-16-5-2-14(3-6-16)13-20-19(23)17-12-15(22(24)25)4-7-18(17)21-8-10-27-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyRLGREWWBEBRDDM-UHFFFAOYSA-N
XLogP2.37
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
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-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide (CID 7409554) is N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide is COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is RLGREWWBEBRDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-26-16-5-2-14(3-6-16)13-20-19(23)17-12-15(22(24)25)4-7-18(17)21-8-10-27-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide?
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 371.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 7409554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).