N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide

C18H26N2O4 — CID 99872934

IUPACN-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NCC[C@H](CCO)c1ccccc1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C18H26N2O4/c21-11-9-15(14-5-2-1-3-6-14)8-10-19-17(22)18(23)20-13-16-7-4-12-24-16/h1-3,5-6,15-16,21H,4,7-13H2,(H,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyDNNVHRJGWHJFLY-CVEARBPZSA-N
MW334.42 g/mol
LogP0.95
Rot. Bonds8

About N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide

N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide (PubChem CID 99872934) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
PubChem CID99872934
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NCC[C@H](CCO)c1ccccc1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C18H26N2O4/c21-11-9-15(14-5-2-1-3-6-14)8-10-19-17(22)18(23)20-13-16-7-4-12-24-16/h1-3,5-6,15-16,21H,4,7-13H2,(H,19,22)(H,20,23)/t15-,16+/m1/s1
InChIKeyDNNVHRJGWHJFLY-CVEARBPZSA-N
XLogP0.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide with MolForge

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Related Compounds

N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
1-(4-hydroxy-2-phenylbutyl)-3-[2-(oxan-2-yl)ethyl]urea
CID 110019268
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 97106388
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 9185287
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide
CID 29135523

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide (CID 99872934) is N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide is O=C(NCC[C@H](CCO)c1ccccc1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
The InChIKey is DNNVHRJGWHJFLY-CVEARBPZSA-N. The full InChI is InChI=1S/C18H26N2O4/c21-11-9-15(14-5-2-1-3-6-14)8-10-19-17(22)18(23)20-13-16-7-4-12-24-16/h1-3,5-6,15-16,21H,4,7-13H2,(H,19,22)(H,20,23)/t15-,16+/m1/s1.
What are the key properties of N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide?
N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide has a molecular weight of 334.42 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 99872934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).