N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide

C22H22N2O4 — CID 24618608

IUPACN-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCOc1cccc(CCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C22H22N2O4/c1-27-19-5-2-4-16(14-19)9-12-21(25)23-15-17-7-10-18(11-8-17)24-22(26)20-6-3-13-28-20/h2-8,10-11,13-14H,9,12,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyFUUZVEIEEBKSGR-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.79
Rot. Bonds8

About N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide

N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 24618608) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID24618608
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCOc1cccc(CCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C22H22N2O4/c1-27-19-5-2-4-16(14-19)9-12-21(25)23-15-17-7-10-18(11-8-17)24-22(26)20-6-3-13-28-20/h2-8,10-11,13-14H,9,12,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyFUUZVEIEEBKSGR-UHFFFAOYSA-N
XLogP3.79
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 42014719
N-[4-[[[N-ethyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111249878
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
tert-butyl N-[2-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917788
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110389850
N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925738
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-[4-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700864
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 18145259

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide (CID 24618608) is N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide is COc1cccc(CCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1.
What is the InChIKey of N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is FUUZVEIEEBKSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-19-5-2-4-16(14-19)9-12-21(25)23-15-17-7-10-18(11-8-17)24-22(26)20-6-3-13-28-20/h2-8,10-11,13-14H,9,12,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 24618608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).