N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide

C16H25N3O6 — CID 59016879

IUPACN-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(OCCNC(=O)C=C)OCCNC(=O)C=C
InChIInChI=1S/C16H25N3O6/c1-4-13(20)17-7-10-23-16(24-11-8-18-14(21)5-2)25-12-9-19-15(22)6-3/h4-6,16H,1-3,7-12H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyKTSGHVJGDNTWNG-UHFFFAOYSA-N
MW355.39 g/mol
LogP-0.77
Rot. Bonds15

About N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide

N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide (PubChem CID 59016879) has the molecular formula C16H25N3O6 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide
PubChem CID59016879
Molecular FormulaC16H25N3O6
Molecular Weight355.39 g/mol
Exact Mass355.17
IUPAC NameN-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(OCCNC(=O)C=C)OCCNC(=O)C=C
InChIInChI=1S/C16H25N3O6/c1-4-13(20)17-7-10-23-16(24-11-8-18-14(21)5-2)25-12-9-19-15(22)6-3/h4-6,16H,1-3,7-12H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyKTSGHVJGDNTWNG-UHFFFAOYSA-N
XLogP-0.77
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-Dimethoxyethyl)-2-propenamide
CID 9898899
N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide
CID 102279284
N-(1,2,2-Triethoxyethyl)prop-2-enamide
CID 13982976
N,N'-bisacryloyl-2,2-di-(2-aminoethoxy)propane
CID 15608862
N-(1,2,2-Trimethoxyethyl)-2-propenamide
CID 18690231
N-(2,2-dipentoxyethyl)prop-2-enamide
CID 19746540
2-(Prop-2-enoylamino)ethyl prop-2-ynyl carbonate
CID 19774716
CID 21285028
CID 21285028
N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide
CID 54150359
N-[2-[2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 58462330
2-(prop-2-enoylamino)ethyl N-(1,3-dioxan-5-yl)carbamate
CID 60131688
N-(2,2-Diethoxyethyl)acrylamide
CID 79548397

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide (CID 59016879) is N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide is C=CC(=O)NCCOC(OCCNC(=O)C=C)OCCNC(=O)C=C.
What is the InChIKey of N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide?
The InChIKey is KTSGHVJGDNTWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6/c1-4-13(20)17-7-10-23-16(24-11-8-18-14(21)5-2)25-12-9-19-15(22)6-3/h4-6,16H,1-3,7-12H2,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide?
N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide has a molecular weight of 355.39 g/mol, XLogP of -0.77, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 59016879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).