N,N-bis(2-ethylhexyl)prop-2-enamide

C19H37NO — CID 22501034

IUPACN,N-bis(2-ethylhexyl)prop-2-enamide
SMILESC=CC(=O)N(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C19H37NO/c1-6-11-13-17(8-3)15-20(19(21)10-5)16-18(9-4)14-12-7-2/h10,17-18H,5-9,11-16H2,1-4H3
InChIKeyWUGBLGVVAAUSET-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.43
Rot. Bonds13

About N,N-bis(2-ethylhexyl)prop-2-enamide

N,N-bis(2-ethylhexyl)prop-2-enamide (PubChem CID 22501034) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)prop-2-enamide
PubChem CID22501034
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN,N-bis(2-ethylhexyl)prop-2-enamide
SMILESC=CC(=O)N(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C19H37NO/c1-6-11-13-17(8-3)15-20(19(21)10-5)16-18(9-4)14-12-7-2/h10,17-18H,5-9,11-16H2,1-4H3
InChIKeyWUGBLGVVAAUSET-UHFFFAOYSA-N
XLogP5.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.43
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,N-bis(2-ethylhexyl)prop-2-enamide?
The IUPAC name of N,N-bis(2-ethylhexyl)prop-2-enamide (CID 22501034) is N,N-bis(2-ethylhexyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)prop-2-enamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)prop-2-enamide is C=CC(=O)N(CC(CC)CCCC)CC(CC)CCCC.
What is the InChIKey of N,N-bis(2-ethylhexyl)prop-2-enamide?
The InChIKey is WUGBLGVVAAUSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-6-11-13-17(8-3)15-20(19(21)10-5)16-18(9-4)14-12-7-2/h10,17-18H,5-9,11-16H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)prop-2-enamide?
N,N-bis(2-ethylhexyl)prop-2-enamide has a molecular weight of 295.51 g/mol, XLogP of 5.43, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)prop-2-enamide is sourced from PubChem (CID 22501034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).