N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide

C18H22N2O4 — CID 124878229

IUPACN-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
SMILESCOc1ccc([C@H](NC(=O)C(=O)NCc2ccco2)C(C)C)cc1
InChIInChI=1S/C18H22N2O4/c1-12(2)16(13-6-8-14(23-3)9-7-13)20-18(22)17(21)19-11-15-5-4-10-24-15/h4-10,12,16H,11H2,1-3H3,(H,19,21)(H,20,22)/t16-/m1/s1
InChIKeyTUZUPYZUDYLSKE-MRXNPFEDSA-N
MW330.38 g/mol
LogP2.42
Rot. Bonds6

About N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide

N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide (PubChem CID 124878229) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
PubChem CID124878229
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
SMILESCOc1ccc([C@H](NC(=O)C(=O)NCc2ccco2)C(C)C)cc1
InChIInChI=1S/C18H22N2O4/c1-12(2)16(13-6-8-14(23-3)9-7-13)20-18(22)17(21)19-11-15-5-4-10-24-15/h4-10,12,16H,11H2,1-3H3,(H,19,21)(H,20,22)/t16-/m1/s1
InChIKeyTUZUPYZUDYLSKE-MRXNPFEDSA-N
XLogP2.42
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
CID 7082801
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 78828363
N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108517692
1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 97185684
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
CID 124596181
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 30405106
N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 108510944
N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 9185408

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide (CID 124878229) is N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide is COc1ccc([C@H](NC(=O)C(=O)NCc2ccco2)C(C)C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide?
The InChIKey is TUZUPYZUDYLSKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(2)16(13-6-8-14(23-3)9-7-13)20-18(22)17(21)19-11-15-5-4-10-24-15/h4-10,12,16H,11H2,1-3H3,(H,19,21)(H,20,22)/t16-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide?
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide has a molecular weight of 330.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide is sourced from PubChem (CID 124878229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).