N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide

C14H19N3O5 — CID 739997

IUPACN-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC1
InChIInChI=1S/C14H19N3O5/c1-21-13-3-2-11(17(19)20)10-12(13)15-14(18)4-5-16-6-8-22-9-7-16/h2-3,10H,4-9H2,1H3,(H,15,18)
InChIKeyDMELNXGLOGXPSK-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.26
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide

N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide (PubChem CID 739997) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide
PubChem CID739997
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC1
InChIInChI=1S/C14H19N3O5/c1-21-13-3-2-11(17(19)20)10-12(13)15-14(18)4-5-16-6-8-22-9-7-16/h2-3,10H,4-9H2,1H3,(H,15,18)
InChIKeyDMELNXGLOGXPSK-UHFFFAOYSA-N
XLogP1.26
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.26
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide (CID 739997) is N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOCC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide?
The InChIKey is DMELNXGLOGXPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-21-13-3-2-11(17(19)20)10-12(13)15-14(18)4-5-16-6-8-22-9-7-16/h2-3,10H,4-9H2,1H3,(H,15,18).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide?
N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide has a molecular weight of 309.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 739997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).