N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide

C17H20N2O4 — CID 97106356

IUPACN-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCC[C@H](O)c1ccoc1)c1ccccc1
InChIInChI=1S/C17H20N2O4/c1-12(13-5-3-2-4-6-13)19-17(22)16(21)18-9-7-15(20)14-8-10-23-11-14/h2-6,8,10-12,15,20H,7,9H2,1H3,(H,18,21)(H,19,22)/t12-,15-/m0/s1
InChIKeyKUEMQBHOFUGXMU-WFASDCNBSA-N
MW316.36 g/mol
LogP1.70
Rot. Bonds6

About N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide

N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide (PubChem CID 97106356) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
PubChem CID97106356
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NCC[C@H](O)c1ccoc1)c1ccccc1
InChIInChI=1S/C17H20N2O4/c1-12(13-5-3-2-4-6-13)19-17(22)16(21)18-9-7-15(20)14-8-10-23-11-14/h2-6,8,10-12,15,20H,7,9H2,1H3,(H,18,21)(H,19,22)/t12-,15-/m0/s1
InChIKeyKUEMQBHOFUGXMU-WFASDCNBSA-N
XLogP1.70
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
CID 121132914
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99981562
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 121132940
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 97106355
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 129355793
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide (CID 97106356) is N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide is C[C@H](NC(=O)C(=O)NCC[C@H](O)c1ccoc1)c1ccccc1.
What is the InChIKey of N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide?
The InChIKey is KUEMQBHOFUGXMU-WFASDCNBSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12(13-5-3-2-4-6-13)19-17(22)16(21)18-9-7-15(20)14-8-10-23-11-14/h2-6,8,10-12,15,20H,7,9H2,1H3,(H,18,21)(H,19,22)/t12-,15-/m0/s1.
What are the key properties of N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide?
N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide has a molecular weight of 316.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 97106356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).