(E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide

C20H23N3O2 — CID 71780297

IUPAC(E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCN(C)C(CNC(=O)/C=C/c1ccco1)c1cn(C)c2ccccc12
InChIInChI=1S/C20H23N3O2/c1-22(2)19(13-21-20(24)11-10-15-7-6-12-25-15)17-14-23(3)18-9-5-4-8-16(17)18/h4-12,14,19H,13H2,1-3H3,(H,21,24)/b11-10+
InChIKeyWQCXLBVTCIGJFV-ZHACJKMWSA-N
MW337.42 g/mol
LogP3.20
Rot. Bonds6

About (E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 71780297) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID71780297
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCN(C)C(CNC(=O)/C=C/c1ccco1)c1cn(C)c2ccccc12
InChIInChI=1S/C20H23N3O2/c1-22(2)19(13-21-20(24)11-10-15-7-6-12-25-15)17-14-23(3)18-9-5-4-8-16(17)18/h4-12,14,19H,13H2,1-3H3,(H,21,24)/b11-10+
InChIKeyWQCXLBVTCIGJFV-ZHACJKMWSA-N
XLogP3.20
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
(E)-N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 97414006
N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
CID 90490718
1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 71780322
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
N'-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90490981
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide (CID 71780297) is (E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide is CN(C)C(CNC(=O)/C=C/c1ccco1)c1cn(C)c2ccccc12.
What is the InChIKey of (E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is WQCXLBVTCIGJFV-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22(2)19(13-21-20(24)11-10-15-7-6-12-25-15)17-14-23(3)18-9-5-4-8-16(17)18/h4-12,14,19H,13H2,1-3H3,(H,21,24)/b11-10+.
What are the key properties of (E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 71780297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).