N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide

C15H20N2O4 — CID 119104015

IUPACN'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC2(O)CCOC2)cc1
InChIInChI=1S/C15H20N2O4/c1-2-11-3-5-12(6-4-11)17-14(19)13(18)16-9-15(20)7-8-21-10-15/h3-6,20H,2,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyDPZPIFMUMIVEPV-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.46
Rot. Bonds4

About N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide

N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide (PubChem CID 119104015) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
PubChem CID119104015
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC2(O)CCOC2)cc1
InChIInChI=1S/C15H20N2O4/c1-2-11-3-5-12(6-4-11)17-14(19)13(18)16-9-15(20)7-8-21-10-15/h3-6,20H,2,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyDPZPIFMUMIVEPV-UHFFFAOYSA-N
XLogP0.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.46
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-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 129397923
1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397882
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
1-[(3-hydroxyoxolan-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 103847569
1-(3,4-dimethylphenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397875
N'-(2-cyanophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]oxamide
CID 129355855
N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335602
N'-(3-chloro-4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]oxamide
CID 90534235
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide
CID 103849185
(2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 100757807
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide
CID 106100830

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide (CID 119104015) is N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide is CCc1ccc(NC(=O)C(=O)NCC2(O)CCOC2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide?
The InChIKey is DPZPIFMUMIVEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-11-3-5-12(6-4-11)17-14(19)13(18)16-9-15(20)7-8-21-10-15/h3-6,20H,2,7-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide?
N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide has a molecular weight of 292.33 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide is sourced from PubChem (CID 119104015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).