N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide

C18H18N2O — CID 110473243

IUPACN-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1cccc2[nH]ccc12)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-18(2,13-7-4-3-5-8-13)17(21)20-16-10-6-9-15-14(16)11-12-19-15/h3-12,19H,1-2H3,(H,20,21)
InChIKeyDTZUMJXUCVDRDV-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.08
Rot. Bonds3

About N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide

N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide (PubChem CID 110473243) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide
PubChem CID110473243
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1cccc2[nH]ccc12)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-18(2,13-7-4-3-5-8-13)17(21)20-16-10-6-9-15-14(16)11-12-19-15/h3-12,19H,1-2H3,(H,20,21)
InChIKeyDTZUMJXUCVDRDV-UHFFFAOYSA-N
XLogP4.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
N-(2-ethylphenyl)-2-methyl-2-phenylpropanamide
CID 8839434
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
propane;N-prop-1-en-2-yl-1H-indol-4-amine
CID 143997760
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
2-(1H-indol-4-yl)-2-methylpropanoic acid
CID 117119069
2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909
2,2-dimethyl-N-(1-oxo-2H-isoquinolin-5-yl)propanamide
CID 52936895
3-(1H-indol-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163934
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 46176392

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide (CID 110473243) is N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide is CC(C)(C(=O)Nc1cccc2[nH]ccc12)c1ccccc1.
What is the InChIKey of N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide?
The InChIKey is DTZUMJXUCVDRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,13-7-4-3-5-8-13)17(21)20-16-10-6-9-15-14(16)11-12-19-15/h3-12,19H,1-2H3,(H,20,21).
What are the key properties of N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide?
N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide has a molecular weight of 278.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 110473243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).