N-heptan-2-ylhept-6-enamide

C14H27NO — CID 166754138

IUPACN-heptan-2-ylhept-6-enamide
SMILESC=CCCCCC(=O)NC(C)CCCCC
InChIInChI=1S/C14H27NO/c1-4-6-8-10-12-14(16)15-13(3)11-9-7-5-2/h4,13H,1,5-12H2,2-3H3,(H,15,16)
InChIKeyGUOHPKMKZNXDQX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.82
Rot. Bonds10

About N-heptan-2-ylhept-6-enamide

N-heptan-2-ylhept-6-enamide (PubChem CID 166754138) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-heptan-2-ylhept-6-enamide.

Molecular Properties

Compound NameN-heptan-2-ylhept-6-enamide
PubChem CID166754138
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-heptan-2-ylhept-6-enamide
SMILESC=CCCCCC(=O)NC(C)CCCCC
InChIInChI=1S/C14H27NO/c1-4-6-8-10-12-14(16)15-13(3)11-9-7-5-2/h4,13H,1,5-12H2,2-3H3,(H,15,16)
InChIKeyGUOHPKMKZNXDQX-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-pentan-2-ylundecanamide
CID 173258559
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
N-heptan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914226
N-(6-aminohexan-2-yl)octanamide
CID 123172105
N-octan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914237
non-8-en-2-ylcarbamic acid
CID 175945835
3-(heptanoylamino)butanoic acid
CID 43360958
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
3-ethylsulfanyl-N-heptan-2-ylpropanamide
CID 87001996

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-ylhept-6-enamide?
The IUPAC name of N-heptan-2-ylhept-6-enamide (CID 166754138) is N-heptan-2-ylhept-6-enamide.
What is the SMILES notation for N-heptan-2-ylhept-6-enamide?
The canonical SMILES for N-heptan-2-ylhept-6-enamide is C=CCCCCC(=O)NC(C)CCCCC.
What is the InChIKey of N-heptan-2-ylhept-6-enamide?
The InChIKey is GUOHPKMKZNXDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-6-8-10-12-14(16)15-13(3)11-9-7-5-2/h4,13H,1,5-12H2,2-3H3,(H,15,16).
What are the key properties of N-heptan-2-ylhept-6-enamide?
N-heptan-2-ylhept-6-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-ylhept-6-enamide is sourced from PubChem (CID 166754138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).