N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide

C15H29NO3 — CID 91060195

IUPACN,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide
SMILESCC=CC(C)CC(=O)N(CCOCC)CCOCC
InChIInChI=1S/C15H29NO3/c1-5-8-14(4)13-15(17)16(9-11-18-6-2)10-12-19-7-3/h5,8,14H,6-7,9-13H2,1-4H3
InChIKeyIGAFYHDGFXKMCZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.49
Rot. Bonds11

About N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide

N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide (PubChem CID 91060195) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide
PubChem CID91060195
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide
SMILESCC=CC(C)CC(=O)N(CCOCC)CCOCC
InChIInChI=1S/C15H29NO3/c1-5-8-14(4)13-15(17)16(9-11-18-6-2)10-12-19-7-3/h5,8,14H,6-7,9-13H2,1-4H3
InChIKeyIGAFYHDGFXKMCZ-UHFFFAOYSA-N
XLogP2.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
CID 90071172
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-methoxyethyl)-N-methyldocosa-4,7,10,13,16,19-hexaenamide
CID 155538848
(2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 10987213
2-Methyl-1-morpholin-4-ylpent-4-en-1-one
CID 22628680
(2R,3S)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 44632318
(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 100990980
(E)-1-morpholin-4-yloct-4-en-1-one
CID 166437933
2,3-Dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084216
(2R)-2-methyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084219
4-Ethenyl-1-(2-methoxyethyl)pyrrolidin-2-one
CID 58549961
(E,2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one
CID 68411602
2-Tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one
CID 69032903

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide (CID 91060195) is N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide is CC=CC(C)CC(=O)N(CCOCC)CCOCC.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide?
The InChIKey is IGAFYHDGFXKMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-8-14(4)13-15(17)16(9-11-18-6-2)10-12-19-7-3/h5,8,14H,6-7,9-13H2,1-4H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide?
N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide has a molecular weight of 271.40 g/mol, XLogP of 2.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-3-methylhex-4-enamide is sourced from PubChem (CID 91060195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).