CID 43558680

C14H27N2O — CID 43558680

IUPAC—
SMILESCCCCCN(C)C(=O)CCC1CCC[N]C1
InChIInChI=1S/C14H27N2O/c1-3-4-5-11-16(2)14(17)9-8-13-7-6-10-15-12-13/h13H,3-12H2,1-2H3
InChIKeyFMCMOEYSVFZGLW-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.43
Rot. Bonds7

About CID 43558680

CID 43558680 (PubChem CID 43558680) has the molecular formula C14H27N2O and a molecular weight of 239.38 g/mol.

Molecular Properties

Compound NameCID 43558680
PubChem CID43558680
Molecular FormulaC14H27N2O
Molecular Weight239.38 g/mol
Exact Mass239.21
IUPAC Name—
SMILESCCCCCN(C)C(=O)CCC1CCC[N]C1
InChIInChI=1S/C14H27N2O/c1-3-4-5-11-16(2)14(17)9-8-13-7-6-10-15-12-13/h13H,3-12H2,1-2H3
InChIKeyFMCMOEYSVFZGLW-UHFFFAOYSA-N
XLogP2.43
TPSA34.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 43558669
CID 43558669
CID 43572467
CID 43572467
3-cyclopentyl-N,N-dipentylpropanamide
CID 4248024
CID 43558569
CID 43558569
CID 43558595
CID 43558595
3-cyclopentyl-N,N-diheptylpropanamide
CID 532988
CID 43558514
CID 43558514
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
CID 43586228
CID 43586228
CID 43558561
CID 43558561
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613

Frequently Asked Questions

What is the IUPAC name of CID 43558680?
The IUPAC name of CID 43558680 (CID 43558680) is not available.
What is the SMILES notation for CID 43558680?
The canonical SMILES for CID 43558680 is CCCCCN(C)C(=O)CCC1CCC[N]C1.
What is the InChIKey of CID 43558680?
The InChIKey is FMCMOEYSVFZGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2O/c1-3-4-5-11-16(2)14(17)9-8-13-7-6-10-15-12-13/h13H,3-12H2,1-2H3.
What are the key properties of CID 43558680?
CID 43558680 has a molecular weight of 239.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 43558680 is sourced from PubChem (CID 43558680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).