N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide

C16H22N2O4 — CID 56765221

IUPACN'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C16H22N2O4/c19-14(17-9-6-13-4-2-1-3-5-13)15(20)18-12-16(21)7-10-22-11-8-16/h1-5,21H,6-12H2,(H,17,19)(H,18,20)
InChIKeyCFMCMGKSWCBCBR-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.00
Rot. Bonds5

About N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide

N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide (PubChem CID 56765221) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide
PubChem CID56765221
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C16H22N2O4/c19-14(17-9-6-13-4-2-1-3-5-13)15(20)18-12-16(21)7-10-22-11-8-16/h1-5,21H,6-12H2,(H,17,19)(H,18,20)
InChIKeyCFMCMGKSWCBCBR-UHFFFAOYSA-N
XLogP0.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.00
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

L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
CID 46937118
N-[3-(morpholin-4-yl)propyl]-N'-(2-phenylethyl)ethanediamide
CID 3120489
2-morpholin-4-yl-N-(2-phenylethyl)acetamide
CID 6470566
N-Phenethyl-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 551498
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]butanamide
CID 25170713
N'-{[4-(4-fluorophenyl)oxan-4-yl]methyl}-N-(2-methoxyethyl)ethanediamide
CID 27453105
2-[benzyl(methyl)amino]-N-(oxan-2-ylmethyl)acetamide
CID 47466742
2-[(4-methylmorpholin-2-yl)methylamino]-N-(3-phenylpropyl)acetamide
CID 53600965
tert-butyl N-[2-[(4-hydroxy-2-phenylbutyl)amino]-2-oxoethyl]-N-methylcarbamate
CID 71857165
3-(2-fluorophenyl)-N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)propanamide
CID 76147773
N-(2-phenylethyl)-N'-[3-(propan-2-yloxy)propyl]ethanediamide
CID 2292204
N1-(1-hydroxybutan-2-yl)-N2-phenethyloxalamide
CID 2957182

Frequently Asked Questions

What is the IUPAC name of N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide (CID 56765221) is N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)NCC1(O)CCOCC1.
What is the InChIKey of N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide?
The InChIKey is CFMCMGKSWCBCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-14(17-9-6-13-4-2-1-3-5-13)15(20)18-12-16(21)7-10-22-11-8-16/h1-5,21H,6-12H2,(H,17,19)(H,18,20).
What are the key properties of N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide?
N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide has a molecular weight of 306.36 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-hydroxyoxan-4-yl)methyl]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 56765221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).