N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide

C14H24N2O3 — CID 150055282

IUPACN-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide
SMILESC=CC(=O)NCCCCOCCCCNC(=O)C=C
InChIInChI=1S/C14H24N2O3/c1-3-13(17)15-9-5-7-11-19-12-8-6-10-16-14(18)4-2/h3-4H,1-2,5-12H2,(H,15,17)(H,16,18)
InChIKeyDMDUNGDUSXBDMT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.17
Rot. Bonds12

About N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide

N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide (PubChem CID 150055282) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide
PubChem CID150055282
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide
SMILESC=CC(=O)NCCCCOCCCCNC(=O)C=C
InChIInChI=1S/C14H24N2O3/c1-3-13(17)15-9-5-7-11-19-12-8-6-10-16-14(18)4-2/h3-4H,1-2,5-12H2,(H,15,17)(H,16,18)
InChIKeyDMDUNGDUSXBDMT-UHFFFAOYSA-N
XLogP1.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide (CID 150055282) is N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide is C=CC(=O)NCCCCOCCCCNC(=O)C=C.
What is the InChIKey of N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide?
The InChIKey is DMDUNGDUSXBDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-13(17)15-9-5-7-11-19-12-8-6-10-16-14(18)4-2/h3-4H,1-2,5-12H2,(H,15,17)(H,16,18).
What are the key properties of N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide?
N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide has a molecular weight of 268.36 g/mol, XLogP of 1.17, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide is sourced from PubChem (CID 150055282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).