N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide

C16H28N2O4 — CID 11522493

IUPACN-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCCCCOCCCNC(=O)C=C
InChIInChI=1S/C16H28N2O4/c1-3-15(19)17-9-7-13-21-11-5-6-12-22-14-8-10-18-16(20)4-2/h3-4H,1-2,5-14H2,(H,17,19)(H,18,20)
InChIKeyVTDZFWQGBAJWCS-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.18
Rot. Bonds15

About N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide

N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide (PubChem CID 11522493) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
PubChem CID11522493
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC NameN-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCCCCOCCCNC(=O)C=C
InChIInChI=1S/C16H28N2O4/c1-3-15(19)17-9-7-13-21-11-5-6-12-22-14-8-10-18-16(20)4-2/h3-4H,1-2,5-14H2,(H,17,19)(H,18,20)
InChIKeyVTDZFWQGBAJWCS-UHFFFAOYSA-N
XLogP1.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
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-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[3-[3,4-bis[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 144750197
N-[3-[4-acetamido-7-[3-(prop-2-enoylamino)propoxy]-4-[3-[3-(prop-2-enoylamino)propoxy]propyl]heptoxy]propyl]prop-2-enamide
CID 130462282
N-[3-[2-[3-(methylamino)propoxymethyl]-2-(prop-2-enoylamino)-3-[3-(prop-2-enoylamino)propoxy]propoxy]propyl]prop-2-enamide
CID 130306231
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 166503839
N-[4-oxo-6-(prop-2-enoylamino)-7-[3-(prop-2-enoylamino)propoxy]-6-[3-(prop-2-enoylamino)propoxymethyl]heptyl]prop-2-enamide
CID 139546832
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
CID 18188386

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide?
The IUPAC name of N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide (CID 11522493) is N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide is C=CC(=O)NCCCOCCCCOCCCNC(=O)C=C.
What is the InChIKey of N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide?
The InChIKey is VTDZFWQGBAJWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-3-15(19)17-9-7-13-21-11-5-6-12-22-14-8-10-18-16(20)4-2/h3-4H,1-2,5-14H2,(H,17,19)(H,18,20).
What are the key properties of N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide?
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide has a molecular weight of 312.41 g/mol, XLogP of 1.18, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide is sourced from PubChem (CID 11522493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).