N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide

C13H24N2O2 — CID 90245544

IUPACN-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)CN(CC)CC/C=C\C
InChIInChI=1S/C13H24N2O2/c1-4-7-8-9-15(6-3)11-12(16)10-14-13(17)5-2/h4-5,7,12,16H,2,6,8-11H2,1,3H3,(H,14,17)/b7-4-
InChIKeyZZAFMBAAHZTGCC-DAXSKMNVSA-N
MW240.35 g/mol
LogP0.94
Rot. Bonds9

About N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide

N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide (PubChem CID 90245544) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide
PubChem CID90245544
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)CN(CC)CC/C=C\C
InChIInChI=1S/C13H24N2O2/c1-4-7-8-9-15(6-3)11-12(16)10-14-13(17)5-2/h4-5,7,12,16H,2,6,8-11H2,1,3H3,(H,14,17)/b7-4-
InChIKeyZZAFMBAAHZTGCC-DAXSKMNVSA-N
XLogP0.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide?
The IUPAC name of N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide (CID 90245544) is N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide.
What is the SMILES notation for N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide?
The canonical SMILES for N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide is C=CC(=O)NCC(O)CN(CC)CC/C=C\C.
What is the InChIKey of N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide?
The InChIKey is ZZAFMBAAHZTGCC-DAXSKMNVSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-7-8-9-15(6-3)11-12(16)10-14-13(17)5-2/h4-5,7,12,16H,2,6,8-11H2,1,3H3,(H,14,17)/b7-4-.
What are the key properties of N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide?
N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]prop-2-enamide is sourced from PubChem (CID 90245544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).