N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide

C18H22N2O3 — CID 30405111

IUPACN-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)C(=O)NCc2ccco2)cc1C
InChIInChI=1S/C18H22N2O3/c1-11-8-13(3)16(9-12(11)2)14(4)20-18(22)17(21)19-10-15-6-5-7-23-15/h5-9,14H,10H2,1-4H3,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyCNMLSGRONRTDRC-CQSZACIVSA-N
MW314.39 g/mol
LogP2.70
Rot. Bonds4

About N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide

N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide (PubChem CID 30405111) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
PubChem CID30405111
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)C(=O)NCc2ccco2)cc1C
InChIInChI=1S/C18H22N2O3/c1-11-8-13(3)16(9-12(11)2)14(4)20-18(22)17(21)19-10-15-6-5-7-23-15/h5-9,14H,10H2,1-4H3,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyCNMLSGRONRTDRC-CQSZACIVSA-N
XLogP2.70
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide
CID 30402622
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
CID 30405095
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 82120685
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide (CID 30405111) is N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide is Cc1cc(C)c([C@@H](C)NC(=O)C(=O)NCc2ccco2)cc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide?
The InChIKey is CNMLSGRONRTDRC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-8-13(3)16(9-12(11)2)14(4)20-18(22)17(21)19-10-15-6-5-7-23-15/h5-9,14H,10H2,1-4H3,(H,19,21)(H,20,22)/t14-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide?
N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide has a molecular weight of 314.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide is sourced from PubChem (CID 30405111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).