N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide

C18H19N3O3 — CID 75407752

IUPACN-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2ccc(NC(=O)/C=C/c3ccco3)cc21
InChIInChI=1S/C18H19N3O3/c1-2-19-18(23)21-10-9-13-5-6-14(12-16(13)21)20-17(22)8-7-15-4-3-11-24-15/h3-8,11-12H,2,9-10H2,1H3,(H,19,23)(H,20,22)/b8-7+
InChIKeyXWYQTNBVLXSXTH-BQYQJAHWSA-N
MW325.37 g/mol
LogP3.02
Rot. Bonds4

About N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide

N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide (PubChem CID 75407752) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide
PubChem CID75407752
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2ccc(NC(=O)/C=C/c3ccco3)cc21
InChIInChI=1S/C18H19N3O3/c1-2-19-18(23)21-10-9-13-5-6-14(12-16(13)21)20-17(22)8-7-15-4-3-11-24-15/h3-8,11-12H,2,9-10H2,1H3,(H,19,23)(H,20,22)/b8-7+
InChIKeyXWYQTNBVLXSXTH-BQYQJAHWSA-N
XLogP3.02
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 71960941
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-(furan-2-yl)prop-2-enamide
CID 171130572
3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride
CID 91942901
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
(E)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 53125865
N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide
CID 167746332
1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085501
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-3-(furan-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 66485469
(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 6214482

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide (CID 75407752) is N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide is CCNC(=O)N1CCc2ccc(NC(=O)/C=C/c3ccco3)cc21.
What is the InChIKey of N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide?
The InChIKey is XWYQTNBVLXSXTH-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-19-18(23)21-10-9-13-5-6-14(12-16(13)21)20-17(22)8-7-15-4-3-11-24-15/h3-8,11-12H,2,9-10H2,1H3,(H,19,23)(H,20,22)/b8-7+.
What are the key properties of N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide?
N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 75407752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).