N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide

C18H19NO4 — CID 22578380

IUPACN-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NC(C)Cc1ccco1)CO2
InChIInChI=1S/C18H19NO4/c1-12(8-16-4-3-7-22-16)19-18(20)14-9-13-10-15(21-2)5-6-17(13)23-11-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,20)
InChIKeyWVCJHCAHFYAEIJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.81
Rot. Bonds5

About N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide

N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide (PubChem CID 22578380) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide
PubChem CID22578380
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NC(C)Cc1ccco1)CO2
InChIInChI=1S/C18H19NO4/c1-12(8-16-4-3-7-22-16)19-18(20)14-9-13-10-15(21-2)5-6-17(13)23-11-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,20)
InChIKeyWVCJHCAHFYAEIJ-UHFFFAOYSA-N
XLogP2.81
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide (CID 22578380) is N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide is COc1ccc2c(c1)C=C(C(=O)NC(C)Cc1ccco1)CO2.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide?
The InChIKey is WVCJHCAHFYAEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(8-16-4-3-7-22-16)19-18(20)14-9-13-10-15(21-2)5-6-17(13)23-11-14/h3-7,9-10,12H,8,11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide?
N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-6-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).