2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide

C17H24N2O4 — CID 78773077

IUPAC2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)C=Cc1ccc(OC)cc1OC)C(N)=O
InChIInChI=1S/C17H24N2O4/c1-5-11(2)16(17(18)21)19-15(20)9-7-12-6-8-13(22-3)10-14(12)23-4/h6-11,16H,5H2,1-4H3,(H2,18,21)(H,19,20)
InChIKeyOQLIUIZTZKNBHW-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.73
Rot. Bonds8

About 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide

2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide (PubChem CID 78773077) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide
PubChem CID78773077
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)C=Cc1ccc(OC)cc1OC)C(N)=O
InChIInChI=1S/C17H24N2O4/c1-5-11(2)16(17(18)21)19-15(20)9-7-12-6-8-13(22-3)10-14(12)23-4/h6-11,16H,5H2,1-4H3,(H2,18,21)(H,19,20)
InChIKeyOQLIUIZTZKNBHW-UHFFFAOYSA-N
XLogP1.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3598582
(2R)-2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 92920815
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 82043566
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9262378
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 8962953
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8604433
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 102534632
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 20744202
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 1178359
N-[4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylbutanamide
CID 33027219

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide?
The IUPAC name of 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide (CID 78773077) is 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide.
What is the SMILES notation for 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide?
The canonical SMILES for 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide is CCC(C)C(NC(=O)C=Cc1ccc(OC)cc1OC)C(N)=O.
What is the InChIKey of 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide?
The InChIKey is OQLIUIZTZKNBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-5-11(2)16(17(18)21)19-15(20)9-7-12-6-8-13(22-3)10-14(12)23-4/h6-11,16H,5H2,1-4H3,(H2,18,21)(H,19,20).
What are the key properties of 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide?
2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide has a molecular weight of 320.39 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethoxyphenyl)prop-2-enoylamino]-3-methylpentanamide is sourced from PubChem (CID 78773077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).