N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide

C19H18N2O2 — CID 169260706

IUPACN-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)C(Cc1ccccc1)C(=O)N2C
InChIInChI=1S/C19H18N2O2/c1-3-18(22)20-14-9-10-17-15(12-14)16(19(23)21(17)2)11-13-7-5-4-6-8-13/h3-10,12,16H,1,11H2,2H3,(H,20,22)
InChIKeyOCSYAHJFNCTANV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.11
Rot. Bonds4

About N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide

N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide (PubChem CID 169260706) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide
PubChem CID169260706
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)C(Cc1ccccc1)C(=O)N2C
InChIInChI=1S/C19H18N2O2/c1-3-18(22)20-14-9-10-17-15(12-14)16(19(23)21(17)2)11-13-7-5-4-6-8-13/h3-10,12,16H,1,11H2,2H3,(H,20,22)
InChIKeyOCSYAHJFNCTANV-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.11
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

3-benzyl-5-chloro-1-methyl-3H-indol-2-one
CID 11043888
N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 139021191
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126
3-(1-methyl-2-oxo-3H-indol-3-yl)propanoic acid
CID 14956191
N-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]prop-2-enamide
CID 139745783
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422115
N-[5-benzyl-8-(4-methylphenyl)-6-oxo-11H-benzo[b][1,4]benzodiazepin-3-yl]prop-2-enamide
CID 139445138
methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
CID 14956192
N-[4-[4-(2-phenylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 52938044
[3-[3-[4-(prop-2-enoylamino)phenyl]propanoylamino]phenyl]carbamic acid
CID 138682756
[2-[(dimethylamino)methyl]-5-(prop-2-enoylamino)phenyl]boronic acid
CID 46739539
N-[3-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421738

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide?
The IUPAC name of N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide (CID 169260706) is N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide.
What is the SMILES notation for N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide?
The canonical SMILES for N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)C(Cc1ccccc1)C(=O)N2C.
What is the InChIKey of N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide?
The InChIKey is OCSYAHJFNCTANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-18(22)20-14-9-10-17-15(12-14)16(19(23)21(17)2)11-13-7-5-4-6-8-13/h3-10,12,16H,1,11H2,2H3,(H,20,22).
What are the key properties of N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide?
N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1-methyl-2-oxo-3H-indol-5-yl)prop-2-enamide is sourced from PubChem (CID 169260706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).