N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide

C17H33NO — CID 129033393

IUPACN-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CCC(C)(CCC)CCCCC
InChIInChI=1S/C17H33NO/c1-6-10-11-13-17(5,12-7-2)14-15-18(9-4)16(19)8-3/h8H,3,6-7,9-15H2,1-2,4-5H3
InChIKeyQKAHZRCIPDTAGN-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.80
Rot. Bonds11

About N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide

N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide (PubChem CID 129033393) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide
PubChem CID129033393
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CCC(C)(CCC)CCCCC
InChIInChI=1S/C17H33NO/c1-6-10-11-13-17(5,12-7-2)14-15-18(9-4)16(19)8-3/h8H,3,6-7,9-15H2,1-2,4-5H3
InChIKeyQKAHZRCIPDTAGN-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propenamide, N,N-didodecyl-
CID 154486
N-methyl-N-tetradecylacrylamide
CID 21364879
n,n-Dioctylacrylamide
CID 22256207
N-(2-decyltetradecyl)-maleimide
CID 129839852
N-ethyl-N-tetradecylacrylamide
CID 168008050
N-propyl-N-tetradecylacrylamide
CID 168008071
N-butyl-N-tetradecylacrylamide
CID 168008082
N-methyl-N-octadecylprop-2-enamide
CID 9797916
N,N-bis(11-methyldodecyl)prop-2-enamide
CID 14475775
N-butyl-N-dodecylprop-2-enamide
CID 19021899
N-dodecyl-N-ethylprop-2-enamide
CID 19021903
N-ethyl-N-(2-ethylhexyl)prop-2-enamide
CID 19783550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide (CID 129033393) is N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide is C=CC(=O)N(CC)CCC(C)(CCC)CCCCC.
What is the InChIKey of N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide?
The InChIKey is QKAHZRCIPDTAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-10-11-13-17(5,12-7-2)14-15-18(9-4)16(19)8-3/h8H,3,6-7,9-15H2,1-2,4-5H3.
What are the key properties of N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide?
N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide has a molecular weight of 267.46 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methyl-3-propyloctyl)prop-2-enamide is sourced from PubChem (CID 129033393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).