N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide

C24H28N2O2 — CID 93127425

IUPACN-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)N[C@H](C)CC)n2Cc1ccc(C)cc1
InChIInChI=1S/C24H28N2O2/c1-5-14-28-23-9-7-8-21-20(23)15-22(24(27)25-18(4)6-2)26(21)16-19-12-10-17(3)11-13-19/h5,7-13,15,18H,1,6,14,16H2,2-4H3,(H,25,27)/t18-/m1/s1
InChIKeyJDDPBXHFWAERNH-GOSISDBHSA-N
MW376.50 g/mol
LogP5.09
Rot. Bonds8

About N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide

N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide (PubChem CID 93127425) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
PubChem CID93127425
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)N[C@H](C)CC)n2Cc1ccc(C)cc1
InChIInChI=1S/C24H28N2O2/c1-5-14-28-23-9-7-8-21-20(23)15-22(24(27)25-18(4)6-2)26(21)16-19-12-10-17(3)11-13-19/h5,7-13,15,18H,1,6,14,16H2,2-4H3,(H,25,27)/t18-/m1/s1
InChIKeyJDDPBXHFWAERNH-GOSISDBHSA-N
XLogP5.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 93127426
N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667137
N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667127
1-[(4-methylphenyl)methyl]-4-prop-2-enoxy-N-(2-pyrrolidin-1-ylethyl)indole-2-carboxamide
CID 42807246
[1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindol-2-yl]-piperidin-1-ylmethanone
CID 42667129
4-ethoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 42804741
N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804623
1-[(3,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807293
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
1-[(Z)-but-2-enyl]-N-(2-methylpropyl)-4-prop-2-enoxyindole-2-carboxamide
CID 42807253
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
CID 42805833
N-(3,4-dimethylphenyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804621

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide (CID 93127425) is N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)N[C@H](C)CC)n2Cc1ccc(C)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
The InChIKey is JDDPBXHFWAERNH-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-5-14-28-23-9-7-8-21-20(23)15-22(24(27)25-18(4)6-2)26(21)16-19-12-10-17(3)11-13-19/h5,7-13,15,18H,1,6,14,16H2,2-4H3,(H,25,27)/t18-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide?
N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide is sourced from PubChem (CID 93127425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).