N-(cyanomethyl)-4-ethoxy-N-methylbutanamide

C9H16N2O2 — CID 78915918

IUPACN-(cyanomethyl)-4-ethoxy-N-methylbutanamide
SMILESCCOCCCC(=O)N(C)CC#N
InChIInChI=1S/C9H16N2O2/c1-3-13-8-4-5-9(12)11(2)7-6-10/h3-5,7-8H2,1-2H3
InChIKeyUGRNKOCAIQUNMY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.79
Rot. Bonds6

About N-(cyanomethyl)-4-ethoxy-N-methylbutanamide

N-(cyanomethyl)-4-ethoxy-N-methylbutanamide (PubChem CID 78915918) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(cyanomethyl)-4-ethoxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-ethoxy-N-methylbutanamide
PubChem CID78915918
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(cyanomethyl)-4-ethoxy-N-methylbutanamide
SMILESCCOCCCC(=O)N(C)CC#N
InChIInChI=1S/C9H16N2O2/c1-3-13-8-4-5-9(12)11(2)7-6-10/h3-5,7-8H2,1-2H3
InChIKeyUGRNKOCAIQUNMY-UHFFFAOYSA-N
XLogP0.79
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N-methyl-3-propoxypropanamide
CID 62716829
N-(cyanomethyl)-3-methoxy-N-methylpropanamide
CID 62590044
N-(2-cyanoethyl)-4-ethoxy-N-(2-methoxyethyl)butanamide
CID 78927188
4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81059200
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
4-ethoxy-N-propyl-N-prop-2-ynylbutanamide
CID 78970496
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methyl-N-prop-2-ynylhexanamide
CID 158591848
N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
CID 78974691
N'-(cyanomethyl)-N'-methylpropanediamide
CID 89395698
N,N-bis(cyanomethyl)-2-ethoxyacetamide
CID 4187434
6-amino-N-(2-ethoxyethyl)-N-methylhexanamide
CID 81059139

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-ethoxy-N-methylbutanamide?
The IUPAC name of N-(cyanomethyl)-4-ethoxy-N-methylbutanamide (CID 78915918) is N-(cyanomethyl)-4-ethoxy-N-methylbutanamide.
What is the SMILES notation for N-(cyanomethyl)-4-ethoxy-N-methylbutanamide?
The canonical SMILES for N-(cyanomethyl)-4-ethoxy-N-methylbutanamide is CCOCCCC(=O)N(C)CC#N.
What is the InChIKey of N-(cyanomethyl)-4-ethoxy-N-methylbutanamide?
The InChIKey is UGRNKOCAIQUNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-13-8-4-5-9(12)11(2)7-6-10/h3-5,7-8H2,1-2H3.
What are the key properties of N-(cyanomethyl)-4-ethoxy-N-methylbutanamide?
N-(cyanomethyl)-4-ethoxy-N-methylbutanamide has a molecular weight of 184.24 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-ethoxy-N-methylbutanamide is sourced from PubChem (CID 78915918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).