N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide

C19H21N3O3 — CID 6064694

IUPACN-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C19H21N3O3/c1-12(21-22-19(24)17-10-11-25-13(17)2)14-6-8-16(9-7-14)20-18(23)15-4-3-5-15/h6-11,15H,3-5H2,1-2H3,(H,20,23)(H,22,24)/b21-12-
InChIKeyIIMOZCMESXSDOK-MTJSOVHGSA-N
MW339.40 g/mol
LogP3.48
Rot. Bonds5

About N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 6064694) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
PubChem CID6064694
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C19H21N3O3/c1-12(21-22-19(24)17-10-11-25-13(17)2)14-6-8-16(9-7-14)20-18(23)15-4-3-5-15/h6-11,15H,3-5H2,1-2H3,(H,20,23)(H,22,24)/b21-12-
InChIKeyIIMOZCMESXSDOK-MTJSOVHGSA-N
XLogP3.48
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 4121616
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
CID 5454909
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788
N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 71897518
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-5-methylfuran-2-carboxamide
CID 6104426
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide (CID 6064694) is N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide is C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)C2CCC2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is IIMOZCMESXSDOK-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(21-22-19(24)17-10-11-25-13(17)2)14-6-8-16(9-7-14)20-18(23)15-4-3-5-15/h6-11,15H,3-5H2,1-2H3,(H,20,23)(H,22,24)/b21-12-.
What are the key properties of N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6064694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).