N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide

C18H29NO — CID 145264560

IUPACN-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide
SMILESC=CC(=O)NCCCCCCC(=C1CCC1)C1CCC1
InChIInChI=1S/C18H29NO/c1-2-18(20)19-14-6-4-3-5-13-17(15-9-7-10-15)16-11-8-12-16/h2,15H,1,3-14H2,(H,19,20)
InChIKeyZDCIYVSPQYRBLU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.52
Rot. Bonds9

About N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide

N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide (PubChem CID 145264560) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide.

Molecular Properties

Compound NameN-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide
PubChem CID145264560
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide
SMILESC=CC(=O)NCCCCCCC(=C1CCC1)C1CCC1
InChIInChI=1S/C18H29NO/c1-2-18(20)19-14-6-4-3-5-13-17(15-9-7-10-15)16-11-8-12-16/h2,15H,1,3-14H2,(H,19,20)
InChIKeyZDCIYVSPQYRBLU-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.52
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
CID 131887558
CID 131887558
8-(prop-2-enoylamino)octane-1-sulfonic acid
CID 21454264
N-(3-cyclohexylpropyl)prop-2-enamide
CID 59687537
N-heptadecylprop-2-enamide
CID 20727742
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 166503839
N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide
CID 174411041
4-(prop-2-enoylamino)butanamide
CID 60864661
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide?
The IUPAC name of N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide (CID 145264560) is N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide.
What is the SMILES notation for N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide?
The canonical SMILES for N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide is C=CC(=O)NCCCCCCC(=C1CCC1)C1CCC1.
What is the InChIKey of N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide?
The InChIKey is ZDCIYVSPQYRBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-18(20)19-14-6-4-3-5-13-17(15-9-7-10-15)16-11-8-12-16/h2,15H,1,3-14H2,(H,19,20).
What are the key properties of N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide?
N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide has a molecular weight of 275.44 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclobutyl-7-cyclobutylideneheptyl)prop-2-enamide is sourced from PubChem (CID 145264560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).