N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide

C15H19N3O3 — CID 65486876

IUPACN-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)C(=O)NCC#N
InChIInChI=1S/C15H19N3O3/c1-11(10-12-6-4-5-7-13(12)21-3)18(2)15(20)14(19)17-9-8-16/h4-7,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyCBKXZINSYUZSBP-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.72
Rot. Bonds5

About N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide

N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide (PubChem CID 65486876) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide
PubChem CID65486876
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)C(=O)NCC#N
InChIInChI=1S/C15H19N3O3/c1-11(10-12-6-4-5-7-13(12)21-3)18(2)15(20)14(19)17-9-8-16/h4-7,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyCBKXZINSYUZSBP-UHFFFAOYSA-N
XLogP0.72
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
CID 65488311
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
CID 65488021
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide?
The IUPAC name of N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide (CID 65486876) is N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide?
The canonical SMILES for N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide is COc1ccccc1CC(C)N(C)C(=O)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide?
The InChIKey is CBKXZINSYUZSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(10-12-6-4-5-7-13(12)21-3)18(2)15(20)14(19)17-9-8-16/h4-7,11H,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide?
N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide has a molecular weight of 289.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide is sourced from PubChem (CID 65486876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).