methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate

C15H19NO4 — CID 71135793

IUPACmethyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCCCC(=O)N/C(=C\C(=O)OC)c1cccc(OC)c1
InChIInChI=1S/C15H19NO4/c1-4-6-14(17)16-13(10-15(18)20-3)11-7-5-8-12(9-11)19-2/h5,7-10H,4,6H2,1-3H3,(H,16,17)/b13-10-
InChIKeyJIISVHULNJHZDF-RAXLEYEMSA-N
MW277.32 g/mol
LogP2.13
Rot. Bonds6

About methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate

methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate (PubChem CID 71135793) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate
PubChem CID71135793
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCCCC(=O)N/C(=C\C(=O)OC)c1cccc(OC)c1
InChIInChI=1S/C15H19NO4/c1-4-6-14(17)16-13(10-15(18)20-3)11-7-5-8-12(9-11)19-2/h5,7-10H,4,6H2,1-3H3,(H,16,17)/b13-10-
InChIKeyJIISVHULNJHZDF-RAXLEYEMSA-N
XLogP2.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-octadecanoylbenzamide
CID 142668969
3-methoxy-N'-pentanoylbenzohydrazide
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CID 112510090
methyl 3-(butanoylcarbamoyl)benzoate
CID 70445624
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-methoxy-N,N-dipropylbenzamide
CID 669439
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
2-(butanoylamino)-2-(3-methoxyphenyl)acetic acid
CID 112508886
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate (CID 71135793) is methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate is CCCC(=O)N/C(=C\C(=O)OC)c1cccc(OC)c1.
What is the InChIKey of methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate?
The InChIKey is JIISVHULNJHZDF-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-6-14(17)16-13(10-15(18)20-3)11-7-5-8-12(9-11)19-2/h5,7-10H,4,6H2,1-3H3,(H,16,17)/b13-10-.
What are the key properties of methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate?
methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate has a molecular weight of 277.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 71135793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).