N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide

C18H22N2O4 — CID 121132940

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCCC(O)c2ccoc2)cc1
InChIInChI=1S/C18H22N2O4/c1-12(2)13-3-5-15(6-4-13)20-18(23)17(22)19-9-7-16(21)14-8-10-24-11-14/h3-6,8,10-12,16,21H,7,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyXSHUBHYOSRCPPH-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.58
Rot. Bonds6

About N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 121132940) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID121132940
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCCC(O)c2ccoc2)cc1
InChIInChI=1S/C18H22N2O4/c1-12(2)13-3-5-15(6-4-13)20-18(23)17(22)19-9-7-16(21)14-8-10-24-11-14/h3-6,8,10-12,16,21H,7,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyXSHUBHYOSRCPPH-UHFFFAOYSA-N
XLogP2.58
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
CID 121132914
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 97106356
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea
CID 121132989
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 90524620
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 121132968
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 97106421
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 97106355
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 95986774
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 95986752

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide (CID 121132940) is N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide is CC(C)c1ccc(NC(=O)C(=O)NCCC(O)c2ccoc2)cc1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is XSHUBHYOSRCPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(2)13-3-5-15(6-4-13)20-18(23)17(22)19-9-7-16(21)14-8-10-24-11-14/h3-6,8,10-12,16,21H,7,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 330.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 121132940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).