N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide

C16H22N2O3 — CID 17201904

IUPACN-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
SMILESCC(CNC(=O)C(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12(13-6-3-2-4-7-13)10-17-15(19)16(20)18-11-14-8-5-9-21-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyQOVSMRGNWFLJQG-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.20
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide

N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide (PubChem CID 17201904) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
PubChem CID17201904
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
SMILESCC(CNC(=O)C(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12(13-6-3-2-4-7-13)10-17-15(19)16(20)18-11-14-8-5-9-21-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyQOVSMRGNWFLJQG-UHFFFAOYSA-N
XLogP1.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.20
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

(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 129432264
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 9185287
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide (CID 17201904) is N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide is CC(CNC(=O)C(=O)NCC1CCCO1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide?
The InChIKey is QOVSMRGNWFLJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(13-6-3-2-4-7-13)10-17-15(19)16(20)18-11-14-8-5-9-21-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide?
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide has a molecular weight of 290.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide is sourced from PubChem (CID 17201904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).