N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide

C20H35N3O4Si — CID 139841313

IUPACN-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCC[Si](CCCNC(=O)C=C)(CCCNC(=O)C=C)OCC
InChIInChI=1S/C20H35N3O4Si/c1-5-18(24)21-12-9-15-28(27-8-4,16-10-13-22-19(25)6-2)17-11-14-23-20(26)7-3/h5-7H,1-3,8-17H2,4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWELFJUKCSOMORN-UHFFFAOYSA-N
MW409.60 g/mol
LogP2.05
Rot. Bonds17

About N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide

N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide (PubChem CID 139841313) has the molecular formula C20H35N3O4Si and a molecular weight of 409.60 g/mol. Its IUPAC name is N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide
PubChem CID139841313
Molecular FormulaC20H35N3O4Si
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC NameN-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCC[Si](CCCNC(=O)C=C)(CCCNC(=O)C=C)OCC
InChIInChI=1S/C20H35N3O4Si/c1-5-18(24)21-12-9-15-28(27-8-4,16-10-13-22-19(25)6-2)17-11-14-23-20(26)7-3/h5-7H,1-3,8-17H2,4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWELFJUKCSOMORN-UHFFFAOYSA-N
XLogP2.05
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide?
The IUPAC name of N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide (CID 139841313) is N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide is C=CC(=O)NCCC[Si](CCCNC(=O)C=C)(CCCNC(=O)C=C)OCC.
What is the InChIKey of N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide?
The InChIKey is WELFJUKCSOMORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4Si/c1-5-18(24)21-12-9-15-28(27-8-4,16-10-13-22-19(25)6-2)17-11-14-23-20(26)7-3/h5-7H,1-3,8-17H2,4H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide?
N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide has a molecular weight of 409.60 g/mol, XLogP of 2.05, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethoxy-bis[3-(prop-2-enoylamino)propyl]silyl]propyl]prop-2-enamide is sourced from PubChem (CID 139841313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).