(Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide

C24H27N3O2 — CID 59031194

IUPAC(Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide
SMILESCC(=O)N/C(=C\c1cc(C)c(-c2ccc3[nH]ccc3c2)cc1C)C(=O)NC(C)C
InChIInChI=1S/C24H27N3O2/c1-14(2)26-24(29)23(27-17(5)28)13-20-10-16(4)21(11-15(20)3)18-6-7-22-19(12-18)8-9-25-22/h6-14,25H,1-5H3,(H,26,29)(H,27,28)/b23-13-
InChIKeyGLEQRACQUZSZPY-QRVIBDJDSA-N
MW389.50 g/mol
LogP4.45
Rot. Bonds5

About (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide

(Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide (PubChem CID 59031194) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide
PubChem CID59031194
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide
SMILESCC(=O)N/C(=C\c1cc(C)c(-c2ccc3[nH]ccc3c2)cc1C)C(=O)NC(C)C
InChIInChI=1S/C24H27N3O2/c1-14(2)26-24(29)23(27-17(5)28)13-20-10-16(4)21(11-15(20)3)18-6-7-22-19(12-18)8-9-25-22/h6-14,25H,1-5H3,(H,26,29)(H,27,28)/b23-13-
InChIKeyGLEQRACQUZSZPY-QRVIBDJDSA-N
XLogP4.45
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide with MolForge

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Related Compounds

(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-methoxy-2-methylprop-2-enamide
CID 59031282
3-[[(E)-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methylprop-2-enoyl]amino]propanoic acid
CID 59031669
(Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide
CID 59031313
(E)-N-[3-(dimethylamino)-3-oxopropyl]-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide
CID 59031605
(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide
CID 59031329
(E)-3-[2,5-dimethyl-4-(1H-pyrrol-3-yl)phenyl]-2-methyl-N-propan-2-ylprop-2-enamide
CID 59031511
(E)-3-[4-[3-fluoro-4-(propan-2-ylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide
CID 59031522
(E)-3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-2-methyl-N-propan-2-ylprop-2-enamide
CID 59031138
[5-[2,5-dimethyl-4-[(E)-2-methyl-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate
CID 59031506
(E)-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide
CID 59031501
3-[4-[4-(cyclopentylamino)phenyl]-2,5-dimethylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]-2-methylprop-2-enamide
CID 91018713
(E)-3-[2,5-dimethyl-4-[6-(3-methylbut-2-enoxy)-3-pyridinyl]phenyl]-2-methyl-N-propan-2-ylprop-2-enamide
CID 59031465

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide (CID 59031194) is (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide is CC(=O)N/C(=C\c1cc(C)c(-c2ccc3[nH]ccc3c2)cc1C)C(=O)NC(C)C.
What is the InChIKey of (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide?
The InChIKey is GLEQRACQUZSZPY-QRVIBDJDSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-14(2)26-24(29)23(27-17(5)28)13-20-10-16(4)21(11-15(20)3)18-6-7-22-19(12-18)8-9-25-22/h6-14,25H,1-5H3,(H,26,29)(H,27,28)/b23-13-.
What are the key properties of (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide?
(Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide has a molecular weight of 389.50 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 59031194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).