N-(1-cyanopropyl)heptanamide

C11H20N2O — CID 115605228

IUPACN-(1-cyanopropyl)heptanamide
SMILESCCCCCCC(=O)NC(C#N)CC
InChIInChI=1S/C11H20N2O/c1-3-5-6-7-8-11(14)13-10(4-2)9-12/h10H,3-8H2,1-2H3,(H,13,14)
InChIKeyAWACZBABGGFWJI-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.38
Rot. Bonds7

About N-(1-cyanopropyl)heptanamide

N-(1-cyanopropyl)heptanamide (PubChem CID 115605228) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(1-cyanopropyl)heptanamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)heptanamide
PubChem CID115605228
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(1-cyanopropyl)heptanamide
SMILESCCCCCCC(=O)NC(C#N)CC
InChIInChI=1S/C11H20N2O/c1-3-5-6-7-8-11(14)13-10(4-2)9-12/h10H,3-8H2,1-2H3,(H,13,14)
InChIKeyAWACZBABGGFWJI-UHFFFAOYSA-N
XLogP2.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-yldocosanamide
CID 123339332
N-(1-cyano-2-methylpropyl)heptanamide
CID 115621038
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
2-hydroxy-2-(octanoylamino)acetic acid
CID 45122268
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
N-pentan-2-ylundecanamide
CID 173258559
1-(hexadecanoylamino)propane-1-sulfonic acid
CID 156636169
N-[1-(methylamino)propyl]docosanamide
CID 87067975
N-(1-cyanobutyl)-4-methoxybutanamide
CID 78917905

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)heptanamide?
The IUPAC name of N-(1-cyanopropyl)heptanamide (CID 115605228) is N-(1-cyanopropyl)heptanamide.
What is the SMILES notation for N-(1-cyanopropyl)heptanamide?
The canonical SMILES for N-(1-cyanopropyl)heptanamide is CCCCCCC(=O)NC(C#N)CC.
What is the InChIKey of N-(1-cyanopropyl)heptanamide?
The InChIKey is AWACZBABGGFWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-6-7-8-11(14)13-10(4-2)9-12/h10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1-cyanopropyl)heptanamide?
N-(1-cyanopropyl)heptanamide has a molecular weight of 196.29 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)heptanamide is sourced from PubChem (CID 115605228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).