4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine

C19H27N3O4 — CID 134872823

IUPAC4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine
SMILESCc1ccc(/C(=C/C(N2CCOCC2)N2CCOCC2)C[N+](=O)[O-])cc1
InChIInChI=1S/C19H27N3O4/c1-16-2-4-17(5-3-16)18(15-22(23)24)14-19(20-6-10-25-11-7-20)21-8-12-26-13-9-21/h2-5,14,19H,6-13,15H2,1H3/b18-14+
InChIKeyKAHNYSZEDRWSTO-NBVRZTHBSA-N
MW361.44 g/mol
LogP1.65
Rot. Bonds6

About 4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine

4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine (PubChem CID 134872823) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine
PubChem CID134872823
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine
SMILESCc1ccc(/C(=C/C(N2CCOCC2)N2CCOCC2)C[N+](=O)[O-])cc1
InChIInChI=1S/C19H27N3O4/c1-16-2-4-17(5-3-16)18(15-22(23)24)14-19(20-6-10-25-11-7-20)21-8-12-26-13-9-21/h2-5,14,19H,6-13,15H2,1H3/b18-14+
InChIKeyKAHNYSZEDRWSTO-NBVRZTHBSA-N
XLogP1.65
TPSA68.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.65
H-Bond Donors ≤ 50
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

ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-(4-methylphenyl)-4-morpholin-4-ylbutan-2-one
CID 82130931
(2R)-N-[2-(4-methylbenzoyl)phenyl]-2-morpholin-4-ylpropanamide
CID 97426909
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
4-[1-(4-nitrophenyl)sulfanylethyl]morpholine
CID 19779513
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
4-[3-(4-methylphenyl)-1-phenylprop-2-enyl]morpholine
CID 3607406
(4-methylphenyl)-morpholin-4-ylmethaneselone
CID 4294133
ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
CID 143833538
3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide
CID 30470681

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine?
The IUPAC name of 4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine (CID 134872823) is 4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine.
What is the SMILES notation for 4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine?
The canonical SMILES for 4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine is Cc1ccc(/C(=C/C(N2CCOCC2)N2CCOCC2)C[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine?
The InChIKey is KAHNYSZEDRWSTO-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-16-2-4-17(5-3-16)18(15-22(23)24)14-19(20-6-10-25-11-7-20)21-8-12-26-13-9-21/h2-5,14,19H,6-13,15H2,1H3/b18-14+.
What are the key properties of 4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine?
4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine has a molecular weight of 361.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-(4-methylphenyl)-1-morpholin-4-yl-4-nitrobut-2-enyl]morpholine is sourced from PubChem (CID 134872823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).