N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide

C15H19N3O6 — CID 6456709

IUPACN-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O6/c1-23-11-2-3-12(13(10-11)18(21)22)16-14(19)4-5-15(20)17-6-8-24-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,19)
InChIKeyCVXNNTHEFOPMRB-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.18
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide

N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 6456709) has the molecular formula C15H19N3O6 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID6456709
Molecular FormulaC15H19N3O6
Molecular Weight337.33 g/mol
Exact Mass337.13
IUPAC NameN-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H19N3O6/c1-23-11-2-3-12(13(10-11)18(21)22)16-14(19)4-5-15(20)17-6-8-24-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,19)
InChIKeyCVXNNTHEFOPMRB-UHFFFAOYSA-N
XLogP1.18
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.18
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

(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 9275818
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915263
N-(4-methoxy-2-nitrophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108807672
N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 16648625
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 115569447
methyl 3-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785649
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide (CID 6456709) is N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide is COc1ccc(NC(=O)CCC(=O)N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is CVXNNTHEFOPMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6/c1-23-11-2-3-12(13(10-11)18(21)22)16-14(19)4-5-15(20)17-6-8-24-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,19).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide?
N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 337.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 6456709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).