methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide

C24H25N3O3 — CID 172982960

IUPACmethane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
SMILESC.C/C(=N\NC(=O)C1CC1c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H21N3O3.CH4/c1-15(25-26-22(27)20-14-19(20)17-6-3-2-4-7-17)16-9-11-18(12-10-16)24-23(28)21-8-5-13-29-21;/h2-13,19-20H,14H2,1H3,(H,24,28)(H,26,27);1H4/b25-15+;
InChIKeyMNGBOHBVVOSHJT-BUWMAIPZSA-N
MW403.48 g/mol
LogP4.81
Rot. Bonds6

About methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide

methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide (PubChem CID 172982960) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Namemethane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
PubChem CID172982960
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namemethane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
SMILESC.C/C(=N\NC(=O)C1CC1c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H21N3O3.CH4/c1-15(25-26-22(27)20-14-19(20)17-6-3-2-4-7-17)16-9-11-18(12-10-16)24-23(28)21-8-5-13-29-21;/h2-13,19-20H,14H2,1H3,(H,24,28)(H,26,27);1H4/b25-15+;
InChIKeyMNGBOHBVVOSHJT-BUWMAIPZSA-N
XLogP4.81
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.81
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'}

Analyze methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421
trans-(1R,2R)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522727
cis-(1R,2S)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40522725
trans-(1R,2R)-N-[(E)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73353905
2-phenyl-N-[1-(4-propan-2-ylphenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 4112006
N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 40568661
5-bromo-N-[4-[(E)-N-[[(1S,2R)-2-(4-tert-butylphenyl)cyclopropanecarbonyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 29055567
trans-(1S,2S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7296073
4-chloro-N-[3-[C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]benzamide
CID 3652247
cis-(1S,2R)-N-[(Z)-1-(3,4-dihydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 136668784

Frequently Asked Questions

What is the IUPAC name of methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide (CID 172982960) is methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide is C.C/C(=N\NC(=O)C1CC1c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
The InChIKey is MNGBOHBVVOSHJT-BUWMAIPZSA-N. The full InChI is InChI=1S/C23H21N3O3.CH4/c1-15(25-26-22(27)20-14-19(20)17-6-3-2-4-7-17)16-9-11-18(12-10-16)24-23(28)21-8-5-13-29-21;/h2-13,19-20H,14H2,1H3,(H,24,28)(H,26,27);1H4/b25-15+;.
What are the key properties of methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[4-[(E)-C-methyl-N-[(2-phenylcyclopropanecarbonyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 172982960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).