N-(1,2,2-tributoxyethyl)prop-2-enamide

C17H33NO4 — CID 18690235

IUPACN-(1,2,2-tributoxyethyl)prop-2-enamide
SMILESC=CC(=O)NC(OCCCC)C(OCCCC)OCCCC
InChIInChI=1S/C17H33NO4/c1-5-9-12-20-16(18-15(19)8-4)17(21-13-10-6-2)22-14-11-7-3/h8,16-17H,4-7,9-14H2,1-3H3,(H,18,19)
InChIKeyLLLGQHWWLSRDGU-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.39
Rot. Bonds15

About N-(1,2,2-tributoxyethyl)prop-2-enamide

N-(1,2,2-tributoxyethyl)prop-2-enamide (PubChem CID 18690235) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is N-(1,2,2-tributoxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,2,2-tributoxyethyl)prop-2-enamide
PubChem CID18690235
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC NameN-(1,2,2-tributoxyethyl)prop-2-enamide
SMILESC=CC(=O)NC(OCCCC)C(OCCCC)OCCCC
InChIInChI=1S/C17H33NO4/c1-5-9-12-20-16(18-15(19)8-4)17(21-13-10-6-2)22-14-11-7-3/h8,16-17H,4-7,9-14H2,1-3H3,(H,18,19)
InChIKeyLLLGQHWWLSRDGU-UHFFFAOYSA-N
XLogP3.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(1,2,2-tributoxyethyl)prop-2-enamide?
The IUPAC name of N-(1,2,2-tributoxyethyl)prop-2-enamide (CID 18690235) is N-(1,2,2-tributoxyethyl)prop-2-enamide.
What is the SMILES notation for N-(1,2,2-tributoxyethyl)prop-2-enamide?
The canonical SMILES for N-(1,2,2-tributoxyethyl)prop-2-enamide is C=CC(=O)NC(OCCCC)C(OCCCC)OCCCC.
What is the InChIKey of N-(1,2,2-tributoxyethyl)prop-2-enamide?
The InChIKey is LLLGQHWWLSRDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4/c1-5-9-12-20-16(18-15(19)8-4)17(21-13-10-6-2)22-14-11-7-3/h8,16-17H,4-7,9-14H2,1-3H3,(H,18,19).
What are the key properties of N-(1,2,2-tributoxyethyl)prop-2-enamide?
N-(1,2,2-tributoxyethyl)prop-2-enamide has a molecular weight of 315.45 g/mol, XLogP of 3.39, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2-tributoxyethyl)prop-2-enamide is sourced from PubChem (CID 18690235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).