N-(1-cyanobutyl)-4-methoxybutanamide

C10H18N2O2 — CID 78917905

IUPACN-(1-cyanobutyl)-4-methoxybutanamide
SMILESCCCC(C#N)NC(=O)CCCOC
InChIInChI=1S/C10H18N2O2/c1-3-5-9(8-11)12-10(13)6-4-7-14-2/h9H,3-7H2,1-2H3,(H,12,13)
InChIKeyTWFMYVKIRDQHDP-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.22
Rot. Bonds7

About N-(1-cyanobutyl)-4-methoxybutanamide

N-(1-cyanobutyl)-4-methoxybutanamide (PubChem CID 78917905) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(1-cyanobutyl)-4-methoxybutanamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-4-methoxybutanamide
PubChem CID78917905
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(1-cyanobutyl)-4-methoxybutanamide
SMILESCCCC(C#N)NC(=O)CCCOC
InChIInChI=1S/C10H18N2O2/c1-3-5-9(8-11)12-10(13)6-4-7-14-2/h9H,3-7H2,1-2H3,(H,12,13)
InChIKeyTWFMYVKIRDQHDP-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-cyanobutyl]-4-ethoxybutanamide
CID 95286665
N-(1-cyanobutyl)-4-phenylbutanamide
CID 61119296
N-(1-cyanopropyl)heptanamide
CID 115605228
N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
CID 104981240
N-(cyanomethyl)-4-methoxybutanamide
CID 78989538
N-[(1S)-1-cyanobutyl]-3-(4-ethoxyphenyl)propanamide
CID 95284141
N-(1-cyanobutyl)-2,2-dimethylpropanamide
CID 61119497
N-hex-1-yn-3-yl-4-hydroxybutanamide
CID 106233004
N-(1-cyanobutyl)-2,6-dimethoxybenzamide
CID 61120301
2-(decanoylamino)-5-methoxypentanoic acid
CID 81085342
N-(1-cyanoethyl)-4-ethoxybutanamide
CID 78989500
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-4-methoxybutanamide?
The IUPAC name of N-(1-cyanobutyl)-4-methoxybutanamide (CID 78917905) is N-(1-cyanobutyl)-4-methoxybutanamide.
What is the SMILES notation for N-(1-cyanobutyl)-4-methoxybutanamide?
The canonical SMILES for N-(1-cyanobutyl)-4-methoxybutanamide is CCCC(C#N)NC(=O)CCCOC.
What is the InChIKey of N-(1-cyanobutyl)-4-methoxybutanamide?
The InChIKey is TWFMYVKIRDQHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-9(8-11)12-10(13)6-4-7-14-2/h9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-cyanobutyl)-4-methoxybutanamide?
N-(1-cyanobutyl)-4-methoxybutanamide has a molecular weight of 198.27 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-4-methoxybutanamide is sourced from PubChem (CID 78917905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).