N-(cyanomethyl)-3-methoxy-N-methylpropanamide

C7H12N2O2 — CID 62590044

IUPACN-(cyanomethyl)-3-methoxy-N-methylpropanamide
SMILESCOCCC(=O)N(C)CC#N
InChIInChI=1S/C7H12N2O2/c1-9(5-4-8)7(10)3-6-11-2/h3,5-6H2,1-2H3
InChIKeyBQGYSULADRPUAC-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.00
Rot. Bonds4

About N-(cyanomethyl)-3-methoxy-N-methylpropanamide

N-(cyanomethyl)-3-methoxy-N-methylpropanamide (PubChem CID 62590044) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is N-(cyanomethyl)-3-methoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-methoxy-N-methylpropanamide
PubChem CID62590044
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC NameN-(cyanomethyl)-3-methoxy-N-methylpropanamide
SMILESCOCCC(=O)N(C)CC#N
InChIInChI=1S/C7H12N2O2/c1-9(5-4-8)7(10)3-6-11-2/h3,5-6H2,1-2H3
InChIKeyBQGYSULADRPUAC-UHFFFAOYSA-N
XLogP0.00
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(cyanomethyl)-N-methyl-3-propoxypropanamide
CID 62716829
N-(cyanomethyl)-4-ethoxy-N-methylbutanamide
CID 78915918
3-methoxy-N,N-dimethylpropanamide
CID 159478663
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
N'-(cyanomethyl)-N'-methylpropanediamide
CID 89395698
N-(cyanomethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62367425
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide
CID 158591848
2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60672925
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
CID 61040705
N,N-bis(cyanomethyl)-3-phenoxypropanamide
CID 60592055

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-methoxy-N-methylpropanamide?
The IUPAC name of N-(cyanomethyl)-3-methoxy-N-methylpropanamide (CID 62590044) is N-(cyanomethyl)-3-methoxy-N-methylpropanamide.
What is the SMILES notation for N-(cyanomethyl)-3-methoxy-N-methylpropanamide?
The canonical SMILES for N-(cyanomethyl)-3-methoxy-N-methylpropanamide is COCCC(=O)N(C)CC#N.
What is the InChIKey of N-(cyanomethyl)-3-methoxy-N-methylpropanamide?
The InChIKey is BQGYSULADRPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-9(5-4-8)7(10)3-6-11-2/h3,5-6H2,1-2H3.
What are the key properties of N-(cyanomethyl)-3-methoxy-N-methylpropanamide?
N-(cyanomethyl)-3-methoxy-N-methylpropanamide has a molecular weight of 156.18 g/mol, XLogP of 0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-methoxy-N-methylpropanamide is sourced from PubChem (CID 62590044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).