N-ethyl-N-(2-ethylhexyl)prop-2-enamide

C13H25NO — CID 19783550

IUPACN-ethyl-N-(2-ethylhexyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CC(CC)CCCC
InChIInChI=1S/C13H25NO/c1-5-9-10-12(6-2)11-14(8-4)13(15)7-3/h7,12H,3,5-6,8-11H2,1-2,4H3
InChIKeyBMSWZBLMKUEXKC-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds8

About N-ethyl-N-(2-ethylhexyl)prop-2-enamide

N-ethyl-N-(2-ethylhexyl)prop-2-enamide (PubChem CID 19783550) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylhexyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylhexyl)prop-2-enamide
PubChem CID19783550
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-N-(2-ethylhexyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CC(CC)CCCC
InChIInChI=1S/C13H25NO/c1-5-9-10-12(6-2)11-14(8-4)13(15)7-3/h7,12H,3,5-6,8-11H2,1-2,4H3
InChIKeyBMSWZBLMKUEXKC-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylhexyl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(2-ethylhexyl)prop-2-enamide (CID 19783550) is N-ethyl-N-(2-ethylhexyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(2-ethylhexyl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(2-ethylhexyl)prop-2-enamide is C=CC(=O)N(CC)CC(CC)CCCC.
What is the InChIKey of N-ethyl-N-(2-ethylhexyl)prop-2-enamide?
The InChIKey is BMSWZBLMKUEXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-9-10-12(6-2)11-14(8-4)13(15)7-3/h7,12H,3,5-6,8-11H2,1-2,4H3.
What are the key properties of N-ethyl-N-(2-ethylhexyl)prop-2-enamide?
N-ethyl-N-(2-ethylhexyl)prop-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylhexyl)prop-2-enamide is sourced from PubChem (CID 19783550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).