N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide

C14H24N2O2 — CID 89197910

IUPACN-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(CC)CC(CCC)NC(=O)C=C
InChIInChI=1S/C14H24N2O2/c1-5-9-12(16-14(18)8-4)10-11(6-2)15-13(17)7-3/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCFAHEHBUONXSKF-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.93
Rot. Bonds9

About N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide

N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide (PubChem CID 89197910) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide
PubChem CID89197910
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(CC)CC(CCC)NC(=O)C=C
InChIInChI=1S/C14H24N2O2/c1-5-9-12(16-14(18)8-4)10-11(6-2)15-13(17)7-3/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyCFAHEHBUONXSKF-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[5-(prop-2-enoylamino)octan-3-yl]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-tetradecan-3-ylprop-2-enamide
CID 54185556
triethyl-[3-(prop-2-enoylamino)pentyl]azanium
CID 87943670
N-(6-aminohexan-3-yl)prop-2-enamide
CID 90258074
N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide
CID 121012434
N-tridecan-5-ylprop-2-enamide
CID 141277245
N-(1-diethoxyphosphorylhexan-3-yl)prop-2-enamide
CID 87513594
2-(prop-2-enoylamino)pentanoic acid
CID 18798141
2-(prop-2-enoylamino)butane-1-sulfonate
CID 19690629
trimethyl-[3-(prop-2-enoylamino)pentadecyl]azanium
CID 141026004
N-[1-(diethylamino)butyl]prop-2-enamide
CID 139534809
9-(prop-2-enoylamino)octadecanoic acid
CID 88669538
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]prop-2-enamide
CID 101481663

Frequently Asked Questions

What is the IUPAC name of N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide?
The IUPAC name of N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide (CID 89197910) is N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide?
The canonical SMILES for N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide is C=CC(=O)NC(CC)CC(CCC)NC(=O)C=C.
What is the InChIKey of N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide?
The InChIKey is CFAHEHBUONXSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-9-12(16-14(18)8-4)10-11(6-2)15-13(17)7-3/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide?
N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide has a molecular weight of 252.36 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide is sourced from PubChem (CID 89197910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).