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

C20H23N3O3 — CID 6024095

IUPACN-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C20H23N3O3/c1-13(22-23-20(25)18-11-12-26-14(18)2)15-7-9-17(10-8-15)21-19(24)16-5-3-4-6-16/h7-12,16H,3-6H2,1-2H3,(H,21,24)(H,23,25)/b22-13-
InChIKeyPEFBCBFGFRBDCM-XKZIYDEJSA-N
MW353.42 g/mol
LogP3.87
Rot. Bonds5

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

N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 6024095) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
PubChem CID6024095
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)C2CCCC2)cc1
InChIInChI=1S/C20H23N3O3/c1-13(22-23-20(25)18-11-12-26-14(18)2)15-7-9-17(10-8-15)21-19(24)16-5-3-4-6-16/h7-12,16H,3-6H2,1-2H3,(H,21,24)(H,23,25)/b22-13-
InChIKeyPEFBCBFGFRBDCM-XKZIYDEJSA-N
XLogP3.87
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.87
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide (CID 6024095) is N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide is C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is PEFBCBFGFRBDCM-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(22-23-20(25)18-11-12-26-14(18)2)15-7-9-17(10-8-15)21-19(24)16-5-3-4-6-16/h7-12,16H,3-6H2,1-2H3,(H,21,24)(H,23,25)/b22-13-.
What are the key properties of N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.87, 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-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6024095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).