N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide

C23H25N3O2 — CID 166421273

IUPACN-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)NCCCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C23H25N3O2/c1-3-22(27)25-20-11-9-18(10-12-20)16-23(28)24-13-6-14-26-17(2)15-19-7-4-5-8-21(19)26/h3-5,7-12,15H,1,6,13-14,16H2,2H3,(H,24,28)(H,25,27)
InChIKeyWKBOEDWGCQQLPS-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.82
Rot. Bonds8

About N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide

N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166421273) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166421273
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)NCCCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C23H25N3O2/c1-3-22(27)25-20-11-9-18(10-12-20)16-23(28)24-13-6-14-26-17(2)15-19-7-4-5-8-21(19)26/h3-5,7-12,15H,1,6,13-14,16H2,2H3,(H,24,28)(H,25,27)
InChIKeyWKBOEDWGCQQLPS-UHFFFAOYSA-N
XLogP3.82
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide
CID 91827368
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489
N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420765
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
CID 107299993
2-methyl-1-tetradecylindole
CID 19869962
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 131925524
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402
N-(4-bromophenyl)-2-(2-methylindol-1-yl)acetamide
CID 4226117
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568
1-(4-bromobutyl)-2-methylindole
CID 14785376

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide (CID 166421273) is N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CC(=O)NCCCn2c(C)cc3ccccc32)cc1.
What is the InChIKey of N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is WKBOEDWGCQQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-22(27)25-20-11-9-18(10-12-20)16-23(28)24-13-6-14-26-17(2)15-19-7-4-5-8-21(19)26/h3-5,7-12,15H,1,6,13-14,16H2,2H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 375.47 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166421273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).