(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide

C24H26N2O — CID 59031329

IUPAC(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide
SMILESCc1cc(-c2ccc3[nH]ccc3c2)c(C)cc1/C=C/C(=O)NC1CCCC1
InChIInChI=1S/C24H26N2O/c1-16-14-22(19-7-9-23-20(15-19)11-12-25-23)17(2)13-18(16)8-10-24(27)26-21-5-3-4-6-21/h7-15,21,25H,3-6H2,1-2H3,(H,26,27)/b10-8+
InChIKeyUTMYVLGKUKZOLW-CSKARUKUSA-N
MW358.49 g/mol
LogP5.52
Rot. Bonds4

About (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide

(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide (PubChem CID 59031329) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide
PubChem CID59031329
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide
SMILESCc1cc(-c2ccc3[nH]ccc3c2)c(C)cc1/C=C/C(=O)NC1CCCC1
InChIInChI=1S/C24H26N2O/c1-16-14-22(19-7-9-23-20(15-19)11-12-25-23)17(2)13-18(16)8-10-24(27)26-21-5-3-4-6-21/h7-15,21,25H,3-6H2,1-2H3,(H,26,27)/b10-8+
InChIKeyUTMYVLGKUKZOLW-CSKARUKUSA-N
XLogP5.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide
CID 59031313
(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
N-cycloheptyl-2-(1H-indol-5-yl)acetamide
CID 84577573
(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-(5-methoxy-1H-indol-3-yl)prop-2-enamide
CID 71468192
N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847
N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 78909471
3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide
CID 163593437
2-(1H-indol-5-yl)-N-(2-methylcyclohexyl)acetamide
CID 84577838
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
(E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427568

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide (CID 59031329) is (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide is Cc1cc(-c2ccc3[nH]ccc3c2)c(C)cc1/C=C/C(=O)NC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide?
The InChIKey is UTMYVLGKUKZOLW-CSKARUKUSA-N. The full InChI is InChI=1S/C24H26N2O/c1-16-14-22(19-7-9-23-20(15-19)11-12-25-23)17(2)13-18(16)8-10-24(27)26-21-5-3-4-6-21/h7-15,21,25H,3-6H2,1-2H3,(H,26,27)/b10-8+.
What are the key properties of (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide?
(E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide has a molecular weight of 358.49 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]prop-2-enamide is sourced from PubChem (CID 59031329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).