(Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide

C17H19N3O2 — CID 7275678

IUPAC(Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide
SMILESCOCCCNC(=O)/C(C#N)=C\c1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H19N3O2/c1-12-15(14-6-3-4-7-16(14)20-12)10-13(11-18)17(21)19-8-5-9-22-2/h3-4,6-7,10,20H,5,8-9H2,1-2H3,(H,19,21)/b13-10-
InChIKeyUXIDQLRYFHIQTP-RAXLEYEMSA-N
MW297.36 g/mol
LogP2.54
Rot. Bonds6

About (Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide

(Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide (PubChem CID 7275678) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide
PubChem CID7275678
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide
SMILESCOCCCNC(=O)/C(C#N)=C\c1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H19N3O2/c1-12-15(14-6-3-4-7-16(14)20-12)10-13(11-18)17(21)19-8-5-9-22-2/h3-4,6-7,10,20H,5,8-9H2,1-2H3,(H,19,21)/b13-10-
InChIKeyUXIDQLRYFHIQTP-RAXLEYEMSA-N
XLogP2.54
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-1H-indol-3-yl)prop-2-enamide
CID 5236654
(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide
CID 6214104
2-cyano-N-(3-methoxypropyl)-3-(4-methylphenyl)prop-2-enamide
CID 4549023
2-cyano-3-(2-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 2876550
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enamide
CID 23476794
(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 841501
(E)-2-cyano-3-(4-cyanophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6214109
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
CID 6076664
3-(4-tert-butylphenyl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 3749505
(E)-2-cyano-N-(3-methoxypropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 9365550
(E)-2-cyano-3-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 8866321
methyl 2-[[(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enoyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 6129016

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide (CID 7275678) is (Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide is COCCCNC(=O)/C(C#N)=C\c1c(C)[nH]c2ccccc12.
What is the InChIKey of (Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide?
The InChIKey is UXIDQLRYFHIQTP-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-15(14-6-3-4-7-16(14)20-12)10-13(11-18)17(21)19-8-5-9-22-2/h3-4,6-7,10,20H,5,8-9H2,1-2H3,(H,19,21)/b13-10-.
What are the key properties of (Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide?
(Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide has a molecular weight of 297.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 7275678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).