N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide

C15H19NO3 — CID 102488337

IUPACN-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide
SMILESC=CCC(=O)N(CC=C)OCc1ccc(OC)cc1
InChIInChI=1S/C15H19NO3/c1-4-6-15(17)16(11-5-2)19-12-13-7-9-14(18-3)10-8-13/h4-5,7-10H,1-2,6,11-12H2,3H3
InChIKeyNWXGXVGHEBCMPP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.72
Rot. Bonds8

About N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide

N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide (PubChem CID 102488337) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide
PubChem CID102488337
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide
SMILESC=CCC(=O)N(CC=C)OCc1ccc(OC)cc1
InChIInChI=1S/C15H19NO3/c1-4-6-15(17)16(11-5-2)19-12-13-7-9-14(18-3)10-8-13/h4-5,7-10H,1-2,6,11-12H2,3H3
InChIKeyNWXGXVGHEBCMPP-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide?
The IUPAC name of N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide (CID 102488337) is N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide?
The canonical SMILES for N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide is C=CCC(=O)N(CC=C)OCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide?
The InChIKey is NWXGXVGHEBCMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-6-15(17)16(11-5-2)19-12-13-7-9-14(18-3)10-8-13/h4-5,7-10H,1-2,6,11-12H2,3H3.
What are the key properties of N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide?
N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide has a molecular weight of 261.32 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methoxy]-N-prop-2-enylbut-3-enamide is sourced from PubChem (CID 102488337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).