methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate

C15H19NO4 — CID 61031962

IUPACmethyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate
SMILESC=CCOc1ccc(C(=O)N(C)CCC(=O)OC)cc1
InChIInChI=1S/C15H19NO4/c1-4-11-20-13-7-5-12(6-8-13)15(18)16(2)10-9-14(17)19-3/h4-8H,1,9-11H2,2-3H3
InChIKeyPPAYQZAWZUMRKP-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.89
Rot. Bonds7

About methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate

methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate (PubChem CID 61031962) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate
PubChem CID61031962
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate
SMILESC=CCOc1ccc(C(=O)N(C)CCC(=O)OC)cc1
InChIInChI=1S/C15H19NO4/c1-4-11-20-13-7-5-12(6-8-13)15(18)16(2)10-9-14(17)19-3/h4-8H,1,9-11H2,2-3H3
InChIKeyPPAYQZAWZUMRKP-UHFFFAOYSA-N
XLogP1.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate (CID 61031962) is methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate is C=CCOc1ccc(C(=O)N(C)CCC(=O)OC)cc1.
What is the InChIKey of methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate?
The InChIKey is PPAYQZAWZUMRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-11-20-13-7-5-12(6-8-13)15(18)16(2)10-9-14(17)19-3/h4-8H,1,9-11H2,2-3H3.
What are the key properties of methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate?
methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate has a molecular weight of 277.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate is sourced from PubChem (CID 61031962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).