N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide

C16H28N2O4 — CID 101483878

IUPACN-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CCOCCOCCN(CC)C(=O)C=C
InChIInChI=1S/C16H28N2O4/c1-5-15(19)17(7-3)9-11-21-13-14-22-12-10-18(8-4)16(20)6-2/h5-6H,1-2,7-14H2,3-4H3
InChIKeyBLGOUBDCLNKRBQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.09
Rot. Bonds13

About N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide

N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 101483878) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID101483878
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC NameN-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CCOCCOCCN(CC)C(=O)C=C
InChIInChI=1S/C16H28N2O4/c1-5-15(19)17(7-3)9-11-21-13-14-22-12-10-18(8-4)16(20)6-2/h5-6H,1-2,7-14H2,3-4H3
InChIKeyBLGOUBDCLNKRBQ-UHFFFAOYSA-N
XLogP1.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-(2-ethenoxyethoxymethyl)-N-ethylprop-2-enamide
CID 118885927
N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide
CID 102991803
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate
CID 142375192
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid
CID 102525241
N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide
CID 134446258
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
CID 60948673
N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid
CID 118451441
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide (CID 101483878) is N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide is C=CC(=O)N(CC)CCOCCOCCN(CC)C(=O)C=C.
What is the InChIKey of N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is BLGOUBDCLNKRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-5-15(19)17(7-3)9-11-21-13-14-22-12-10-18(8-4)16(20)6-2/h5-6H,1-2,7-14H2,3-4H3.
What are the key properties of N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide?
N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 312.41 g/mol, XLogP of 1.09, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 101483878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).