(E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide

C17H20N2O2 — CID 71468192

IUPAC(E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
SMILESCOc1ccc2[nH]cc(/C=C/C(=O)NC3CCCC3)c2c1
InChIInChI=1S/C17H20N2O2/c1-21-14-7-8-16-15(10-14)12(11-18-16)6-9-17(20)19-13-4-2-3-5-13/h6-11,13,18H,2-5H2,1H3,(H,19,20)/b9-6+
InChIKeyYFFNSWBSIMZOIK-RMKNXTFCSA-N
MW284.36 g/mol
LogP3.25
Rot. Bonds4

About (E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide

(E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide (PubChem CID 71468192) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
PubChem CID71468192
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
SMILESCOc1ccc2[nH]cc(/C=C/C(=O)NC3CCCC3)c2c1
InChIInChI=1S/C17H20N2O2/c1-21-14-7-8-16-15(10-14)12(11-18-16)6-9-17(20)19-13-4-2-3-5-13/h6-11,13,18H,2-5H2,1H3,(H,19,20)/b9-6+
InChIKeyYFFNSWBSIMZOIK-RMKNXTFCSA-N
XLogP3.25
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132
1-chloro-4-(5-methoxy-1H-indol-3-yl)but-3-en-2-one
CID 77040377
(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
CID 126522636
(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
CID 27396979
(E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 26709178
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide
CID 4529456
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507
(E)-N-cyclohexyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 71495781
dimethyl 2-[cyclohexyl-(5-methoxy-1H-indol-3-yl)methyl]propanedioate
CID 102292347
(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 103866686

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide (CID 71468192) is (E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide is COc1ccc2[nH]cc(/C=C/C(=O)NC3CCCC3)c2c1.
What is the InChIKey of (E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide?
The InChIKey is YFFNSWBSIMZOIK-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-14-7-8-16-15(10-14)12(11-18-16)6-9-17(20)19-13-4-2-3-5-13/h6-11,13,18H,2-5H2,1H3,(H,19,20)/b9-6+.
What are the key properties of (E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide?
(E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 71468192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).