N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide

C22H22N2O5 — CID 656254

IUPACN-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCCCOc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1
InChIInChI=1S/C22H22N2O5/c1-3-11-28-17-7-4-6-15(13-17)21(25)24-18-14-16(9-10-19(18)27-2)23-22(26)20-8-5-12-29-20/h4-10,12-14H,3,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVILSSXNTUJDBAS-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.58
Rot. Bonds8

About N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide

N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 656254) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID656254
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCCCOc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1
InChIInChI=1S/C22H22N2O5/c1-3-11-28-17-7-4-6-15(13-17)21(25)24-18-14-16(9-10-19(18)27-2)23-22(26)20-8-5-12-29-20/h4-10,12-14H,3,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVILSSXNTUJDBAS-UHFFFAOYSA-N
XLogP4.58
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide (CID 656254) is N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide is CCCOc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1.
What is the InChIKey of N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is VILSSXNTUJDBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-3-11-28-17-7-4-6-15(13-17)21(25)24-18-14-16(9-10-19(18)27-2)23-22(26)20-8-5-12-29-20/h4-10,12-14H,3,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide?
N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 656254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).