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

C18H19N3O3 — CID 6015101

IUPACN-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H19N3O3/c1-11(20-21-18(23)16-8-9-24-12(16)2)14-4-3-5-15(10-14)19-17(22)13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H,19,22)(H,21,23)/b20-11-
InChIKeyHMVBUDJBZGUYAO-JAIQZWGSSA-N
MW325.37 g/mol
LogP3.09
Rot. Bonds5

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

N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 6015101) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
PubChem CID6015101
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H19N3O3/c1-11(20-21-18(23)16-8-9-24-12(16)2)14-4-3-5-15(10-14)19-17(22)13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H,19,22)(H,21,23)/b20-11-
InChIKeyHMVBUDJBZGUYAO-JAIQZWGSSA-N
XLogP3.09
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.09
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-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide (CID 6015101) is N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide is C/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is HMVBUDJBZGUYAO-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(20-21-18(23)16-8-9-24-12(16)2)14-4-3-5-15(10-14)19-17(22)13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H,19,22)(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6015101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).