N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide

C20H24N2O2 — CID 9185870

IUPACN-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)/C=C/c2cc(C)n(C(C)C)c2C)c1
InChIInChI=1S/C20H24N2O2/c1-13(2)22-14(3)11-17(15(22)4)9-10-20(24)18-7-6-8-19(12-18)21-16(5)23/h6-13H,1-5H3,(H,21,23)/b10-9+
InChIKeyWWALXZHJHZSXMG-MDZDMXLPSA-N
MW324.42 g/mol
LogP4.54
Rot. Bonds5

About N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide

N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide (PubChem CID 9185870) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide
PubChem CID9185870
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)/C=C/c2cc(C)n(C(C)C)c2C)c1
InChIInChI=1S/C20H24N2O2/c1-13(2)22-14(3)11-17(15(22)4)9-10-20(24)18-7-6-8-19(12-18)21-16(5)23/h6-13H,1-5H3,(H,21,23)/b10-9+
InChIKeyWWALXZHJHZSXMG-MDZDMXLPSA-N
XLogP4.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 35745930
N-[3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]phenyl]acetamide
CID 52643191
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
N-[3-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 7947701
N-[3-[(E)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 78787133
(E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
CID 17487318
4-[(E)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]-2-nitrophenolate
CID 8858881
N-[3-[(E)-3-(5-tert-butyl-1H-pyrazol-4-yl)prop-2-enoyl]phenyl]acetamide
CID 51091067
N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide
CID 22892049
N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858757

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide (CID 9185870) is N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)/C=C/c2cc(C)n(C(C)C)c2C)c1.
What is the InChIKey of N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is WWALXZHJHZSXMG-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(2)22-14(3)11-17(15(22)4)9-10-20(24)18-7-6-8-19(12-18)21-16(5)23/h6-13H,1-5H3,(H,21,23)/b10-9+.
What are the key properties of N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide?
N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 9185870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).