4-formamido-N-heptylpent-4-enamide

C13H24N2O2 — CID 170630725

IUPAC4-formamido-N-heptylpent-4-enamide
SMILESC=C(CCC(=O)NCCCCCCC)NC=O
InChIInChI=1S/C13H24N2O2/c1-3-4-5-6-7-10-14-13(17)9-8-12(2)15-11-16/h11H,2-10H2,1H3,(H,14,17)(H,15,16)
InChIKeyBMNDLINGDXSZCX-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.11
Rot. Bonds11

About 4-formamido-N-heptylpent-4-enamide

4-formamido-N-heptylpent-4-enamide (PubChem CID 170630725) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-formamido-N-heptylpent-4-enamide.

Molecular Properties

Compound Name4-formamido-N-heptylpent-4-enamide
PubChem CID170630725
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-formamido-N-heptylpent-4-enamide
SMILESC=C(CCC(=O)NCCCCCCC)NC=O
InChIInChI=1S/C13H24N2O2/c1-3-4-5-6-7-10-14-13(17)9-8-12(2)15-11-16/h11H,2-10H2,1H3,(H,14,17)(H,15,16)
InChIKeyBMNDLINGDXSZCX-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecylpentanamide
CID 87172595
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of 4-formamido-N-heptylpent-4-enamide?
The IUPAC name of 4-formamido-N-heptylpent-4-enamide (CID 170630725) is 4-formamido-N-heptylpent-4-enamide.
What is the SMILES notation for 4-formamido-N-heptylpent-4-enamide?
The canonical SMILES for 4-formamido-N-heptylpent-4-enamide is C=C(CCC(=O)NCCCCCCC)NC=O.
What is the InChIKey of 4-formamido-N-heptylpent-4-enamide?
The InChIKey is BMNDLINGDXSZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-5-6-7-10-14-13(17)9-8-12(2)15-11-16/h11H,2-10H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-formamido-N-heptylpent-4-enamide?
4-formamido-N-heptylpent-4-enamide has a molecular weight of 240.35 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-N-heptylpent-4-enamide is sourced from PubChem (CID 170630725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).