N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide

C21H27N4O5+ — CID 9352942

IUPACN-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)C(=O)NCc2ccco2)cc1C[NH+]1CCOCC1
InChIInChI=1S/C21H26N4O5/c1-15(23-24-21(27)20(26)22-13-18-4-3-9-30-18)16-5-6-19(28-2)17(12-16)14-25-7-10-29-11-8-25/h3-6,9,12H,7-8,10-11,13-14H2,1-2H3,(H,22,26)(H,24,27)/p+1/b23-15-
InChIKeySRYZIKIYZSFCBG-HAHDFKILSA-O
MW415.47 g/mol
LogP-0.14
Rot. Bonds7

About N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide

N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide (PubChem CID 9352942) has the molecular formula C21H27N4O5+ and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide
PubChem CID9352942
Molecular FormulaC21H27N4O5+
Molecular Weight415.47 g/mol
Exact Mass415.20
IUPAC NameN-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)C(=O)NCc2ccco2)cc1C[NH+]1CCOCC1
InChIInChI=1S/C21H26N4O5/c1-15(23-24-21(27)20(26)22-13-18-4-3-9-30-18)16-5-6-19(28-2)17(12-16)14-25-7-10-29-11-8-25/h3-6,9,12H,7-8,10-11,13-14H2,1-2H3,(H,22,26)(H,24,27)/p+1/b23-15-
InChIKeySRYZIKIYZSFCBG-HAHDFKILSA-O
XLogP-0.14
TPSA106.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]urea
CID 9017280
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]thiophene-2-carboxamide
CID 9176517
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015637
(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylidenehydrazine
CID 7441652
1-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9410063
2-(2,5-dimethylphenoxy)-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]acetamide
CID 9316017
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029766
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 9359533
3,4-dimethoxy-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]benzamide
CID 9232532
N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352954
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352879
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide (CID 9352942) is N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide is COc1ccc(/C(C)=N\NC(=O)C(=O)NCc2ccco2)cc1C[NH+]1CCOCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide?
The InChIKey is SRYZIKIYZSFCBG-HAHDFKILSA-O. The full InChI is InChI=1S/C21H26N4O5/c1-15(23-24-21(27)20(26)22-13-18-4-3-9-30-18)16-5-6-19(28-2)17(12-16)14-25-7-10-29-11-8-25/h3-6,9,12H,7-8,10-11,13-14H2,1-2H3,(H,22,26)(H,24,27)/p+1/b23-15-.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide?
N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide has a molecular weight of 415.47 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 9352942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).