N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide

C19H18N2O2 — CID 57380401

IUPACN-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1(c2ccccc2)C(=O)N(C)c2ccc(C)cc21
InChIInChI=1S/C19H18N2O2/c1-4-17(22)20-19(14-8-6-5-7-9-14)15-12-13(2)10-11-16(15)21(3)18(19)23/h4-12H,1H2,2-3H3,(H,20,22)
InChIKeyBHASBUBIDWSYOB-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.52
Rot. Bonds3

About N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide

N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide (PubChem CID 57380401) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide
PubChem CID57380401
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1(c2ccccc2)C(=O)N(C)c2ccc(C)cc21
InChIInChI=1S/C19H18N2O2/c1-4-17(22)20-19(14-8-6-5-7-9-14)15-12-13(2)10-11-16(15)21(3)18(19)23/h4-12H,1H2,2-3H3,(H,20,22)
InChIKeyBHASBUBIDWSYOB-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1,5-dimethyl-3-(2-methylphenyl)-2-oxoindol-3-yl]carbamate
CID 134849816
(3S)-3-anilino-5-bromo-1-methyl-3-phenylindol-2-one
CID 135032610
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492
1-[(4bS,9bS)-10-acetyl-3,8-dimethyl-4b,9b-diphenylindolo[3,2-b]indol-5-yl]ethanone
CID 1381894
(3S)-3-(2-hydroxy-5-methylphenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 139191748
1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one
CID 122403973
ethyl 1,3,5-trimethyl-2-oxoindole-3-carboxylate
CID 56945773
tert-butyl N-[3-(3-acetylphenyl)-5-bromo-1-methyl-2-oxoindol-3-yl]carbamate
CID 132531168
(4S)-1,4,6-trimethyl-2-oxo-3H-quinoline-4-carboxylic acid
CID 95002264
3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
CID 132571208
3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one
CID 102166868

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide?
The IUPAC name of N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide (CID 57380401) is N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide?
The canonical SMILES for N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide is C=CC(=O)NC1(c2ccccc2)C(=O)N(C)c2ccc(C)cc21.
What is the InChIKey of N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide?
The InChIKey is BHASBUBIDWSYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-4-17(22)20-19(14-8-6-5-7-9-14)15-12-13(2)10-11-16(15)21(3)18(19)23/h4-12H,1H2,2-3H3,(H,20,22).
What are the key properties of N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide?
N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-2-oxo-3-phenylindol-3-yl)prop-2-enamide is sourced from PubChem (CID 57380401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).