N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide

C24H41N3O6 — CID 59378551

IUPACN-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)COCC(CC)(COCC(C)NC(=O)C=C)COCC(C)NC(=O)C=C
InChIInChI=1S/C24H41N3O6/c1-8-21(28)25-18(5)12-31-15-24(11-4,16-32-13-19(6)26-22(29)9-2)17-33-14-20(7)27-23(30)10-3/h8-10,18-20H,1-3,11-17H2,4-7H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyPXCAHCGJUGJRGW-UHFFFAOYSA-N
MW467.61 g/mol
LogP1.50
Rot. Bonds19

About N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide

N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide (PubChem CID 59378551) has the molecular formula C24H41N3O6 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide
PubChem CID59378551
Molecular FormulaC24H41N3O6
Molecular Weight467.61 g/mol
Exact Mass467.30
IUPAC NameN-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)COCC(CC)(COCC(C)NC(=O)C=C)COCC(C)NC(=O)C=C
InChIInChI=1S/C24H41N3O6/c1-8-21(28)25-18(5)12-31-15-24(11-4,16-32-13-19(6)26-22(29)9-2)17-33-14-20(7)27-23(30)10-3/h8-10,18-20H,1-3,11-17H2,4-7H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyPXCAHCGJUGJRGW-UHFFFAOYSA-N
XLogP1.50
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide?
The IUPAC name of N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide (CID 59378551) is N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide?
The canonical SMILES for N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide is C=CC(=O)NC(C)COCC(CC)(COCC(C)NC(=O)C=C)COCC(C)NC(=O)C=C.
What is the InChIKey of N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide?
The InChIKey is PXCAHCGJUGJRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O6/c1-8-21(28)25-18(5)12-31-15-24(11-4,16-32-13-19(6)26-22(29)9-2)17-33-14-20(7)27-23(30)10-3/h8-10,18-20H,1-3,11-17H2,4-7H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide?
N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide has a molecular weight of 467.61 g/mol, XLogP of 1.50, 19 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-bis[2-(prop-2-enoylamino)propoxymethyl]butoxy]propan-2-yl]prop-2-enamide is sourced from PubChem (CID 59378551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).