N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide

C16H22N2O4 — CID 90499449

IUPACN'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C16H22N2O4/c1-16(21,12-5-6-12)10-18-15(20)14(19)17-9-11-3-7-13(22-2)8-4-11/h3-4,7-8,12,21H,5-6,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVZMVAFMHYQKDGG-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.59
Rot. Bonds6

About N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide

N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 90499449) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID90499449
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C16H22N2O4/c1-16(21,12-5-6-12)10-18-15(20)14(19)17-9-11-3-7-13(22-2)8-4-11/h3-4,7-8,12,21H,5-6,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVZMVAFMHYQKDGG-UHFFFAOYSA-N
XLogP0.59
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.59
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-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 90499424
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
CID 89181014
2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 62833195
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 108508151
N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
CID 90499308

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide (CID 90499449) is N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NCC(C)(O)C2CC2)cc1.
What is the InChIKey of N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is VZMVAFMHYQKDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(21,12-5-6-12)10-18-15(20)14(19)17-9-11-3-7-13(22-2)8-4-11/h3-4,7-8,12,21H,5-6,9-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide?
N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 306.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 90499449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).