N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide

C17H24N2O4 — CID 87039182

IUPACN'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCCCOc1cc(C)ccc1NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C17H24N2O4/c1-3-8-23-15-10-12(2)6-7-14(15)19-17(21)16(20)18-11-13-5-4-9-22-13/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJTPLHIPAXYBAIQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.02
Rot. Bonds6

About N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide

N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 87039182) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide
PubChem CID87039182
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide
SMILESCCCOc1cc(C)ccc1NC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C17H24N2O4/c1-3-8-23-15-10-12(2)6-7-14(15)19-17(21)16(20)18-11-13-5-4-9-22-13/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJTPLHIPAXYBAIQ-UHFFFAOYSA-N
XLogP2.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291222
3-methyl-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]butanamide
CID 94621924
5-[[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]furan-2-carboxylic acid
CID 129466833
N'-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 8988993
5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
CID 62509999
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
4-(aminomethyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 119300251
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60934556
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide (CID 87039182) is N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide is CCCOc1cc(C)ccc1NC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is JTPLHIPAXYBAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-8-23-15-10-12(2)6-7-14(15)19-17(21)16(20)18-11-13-5-4-9-22-13/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide?
N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 320.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-2-propoxyphenyl)-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 87039182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).