3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

C24H30N4O — CID 69189057

IUPAC3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
SMILESCN(C)CCc1c[nH]c2ccc(C=CC(=O)NCc3ccc(N(C)C)cc3)cc12
InChIInChI=1S/C24H30N4O/c1-27(2)14-13-20-17-25-23-11-7-18(15-22(20)23)8-12-24(29)26-16-19-5-9-21(10-6-19)28(3)4/h5-12,15,17,25H,13-14,16H2,1-4H3,(H,26,29)
InChIKeyCLFVDWGYOUTQDX-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.67
Rot. Bonds8

About 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide (PubChem CID 69189057) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
PubChem CID69189057
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
SMILESCN(C)CCc1c[nH]c2ccc(C=CC(=O)NCc3ccc(N(C)C)cc3)cc12
InChIInChI=1S/C24H30N4O/c1-27(2)14-13-20-17-25-23-11-7-18(15-22(20)23)8-12-24(29)26-16-19-5-9-21(10-6-19)28(3)4/h5-12,15,17,25H,13-14,16H2,1-4H3,(H,26,29)
InChIKeyCLFVDWGYOUTQDX-UHFFFAOYSA-N
XLogP3.67
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996
(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1-morpholin-4-ylprop-2-en-1-one
CID 25114539
N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide
CID 70858282
2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]ethenesulfonamide
CID 54134165
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9033840
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 9303701
(E)-3-[4-[[acetyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579514
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
(E)-3-[3-[2-(dimethylamino)ethyl]-1-[(4-methoxyphenyl)methyl]indol-5-yl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 89232092
N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide
CID 70821613

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide?
The IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide (CID 69189057) is 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide?
The canonical SMILES for 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide is CN(C)CCc1c[nH]c2ccc(C=CC(=O)NCc3ccc(N(C)C)cc3)cc12.
What is the InChIKey of 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide?
The InChIKey is CLFVDWGYOUTQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-27(2)14-13-20-17-25-23-11-7-18(15-22(20)23)8-12-24(29)26-16-19-5-9-21(10-6-19)28(3)4/h5-12,15,17,25H,13-14,16H2,1-4H3,(H,26,29).
What are the key properties of 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide?
3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide has a molecular weight of 390.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 69189057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).