N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide

C18H20N2O3 — CID 3149814

IUPACN-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C18H20N2O3/c21-17(13-5-2-1-3-6-13)19-14-8-10-15(11-9-14)20-18(22)16-7-4-12-23-16/h4,7-13H,1-3,5-6H2,(H,19,21)(H,20,22)
InChIKeyZIVDPUJHQKDXPM-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.05
Rot. Bonds4

About N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide

N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide (PubChem CID 3149814) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
PubChem CID3149814
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C18H20N2O3/c21-17(13-5-2-1-3-6-13)19-14-8-10-15(11-9-14)20-18(22)16-7-4-12-23-16/h4,7-13H,1-3,5-6H2,(H,19,21)(H,20,22)
InChIKeyZIVDPUJHQKDXPM-UHFFFAOYSA-N
XLogP4.05
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide (CID 3149814) is N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CCCCC2)cc1)c1ccco1.
What is the InChIKey of N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is ZIVDPUJHQKDXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(13-5-2-1-3-6-13)19-14-8-10-15(11-9-14)20-18(22)16-7-4-12-23-16/h4,7-13H,1-3,5-6H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide?
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3149814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).