N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide

C19H32N4O4 — CID 21303578

IUPACN-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide
SMILESCC(C)(CCCOCCCOCCCC(C)(C)C(=O)NC#N)C(=O)NC#N
InChIInChI=1S/C19H32N4O4/c1-18(2,16(24)22-14-20)8-5-10-26-12-7-13-27-11-6-9-19(3,4)17(25)23-15-21/h5-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyFXGOZYNTVGJRBN-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.22
Rot. Bonds14

About N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide

N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide (PubChem CID 21303578) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide
PubChem CID21303578
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC NameN-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide
SMILESCC(C)(CCCOCCCOCCCC(C)(C)C(=O)NC#N)C(=O)NC#N
InChIInChI=1S/C19H32N4O4/c1-18(2,16(24)22-14-20)8-5-10-26-12-7-13-27-11-6-9-19(3,4)17(25)23-15-21/h5-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyFXGOZYNTVGJRBN-UHFFFAOYSA-N
XLogP2.22
TPSA124.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide?
The IUPAC name of N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide (CID 21303578) is N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide.
What is the SMILES notation for N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide?
The canonical SMILES for N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide is CC(C)(CCCOCCCOCCCC(C)(C)C(=O)NC#N)C(=O)NC#N.
What is the InChIKey of N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide?
The InChIKey is FXGOZYNTVGJRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-18(2,16(24)22-14-20)8-5-10-26-12-7-13-27-11-6-9-19(3,4)17(25)23-15-21/h5-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide?
N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide has a molecular weight of 380.49 g/mol, XLogP of 2.22, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide is sourced from PubChem (CID 21303578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).