(E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide

C20H23N3O2 — CID 17487318

IUPAC(E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C=C/c2cc(C)n(C3CC3)c2C)c1
InChIInChI=1S/C20H23N3O2/c1-13-11-16(14(2)23(13)19-8-9-19)7-10-20(25)22-18-6-4-5-17(12-18)21-15(3)24/h4-7,10-12,19H,8-9H2,1-3H3,(H,21,24)(H,22,25)/b10-7+
InChIKeyOHLYBTJKTJJTQR-JXMROGBWSA-N
MW337.42 g/mol
LogP4.05
Rot. Bonds5

About (E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide

(E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide (PubChem CID 17487318) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
PubChem CID17487318
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C=C/c2cc(C)n(C3CC3)c2C)c1
InChIInChI=1S/C20H23N3O2/c1-13-11-16(14(2)23(13)19-8-9-19)7-10-20(25)22-18-6-4-5-17(12-18)21-15(3)24/h4-7,10-12,19H,8-9H2,1-3H3,(H,21,24)(H,22,25)/b10-7+
InChIKeyOHLYBTJKTJJTQR-JXMROGBWSA-N
XLogP4.05
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate
CID 8699046
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]prop-2-enamide
CID 9147398
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoic acid
CID 6235481
(2-anilino-2-oxoethyl) (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate
CID 8698528
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate
CID 9308234
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9302019
N-(3-acetamidophenyl)-1-cyclopropyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 110861368
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide
CID 9163414
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]prop-2-enamide
CID 8938116
[2-(4-acetylanilino)-2-oxoethyl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate
CID 8698874
2-[4-[(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8732740

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide (CID 17487318) is (E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide is CC(=O)Nc1cccc(NC(=O)/C=C/c2cc(C)n(C3CC3)c2C)c1.
What is the InChIKey of (E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
The InChIKey is OHLYBTJKTJJTQR-JXMROGBWSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-11-16(14(2)23(13)19-8-9-19)7-10-20(25)22-18-6-4-5-17(12-18)21-15(3)24/h4-7,10-12,19H,8-9H2,1-3H3,(H,21,24)(H,22,25)/b10-7+.
What are the key properties of (E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
(E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamidophenyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide is sourced from PubChem (CID 17487318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).