N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide

C21H22N2O — CID 42774766

IUPACN-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
SMILESCn1cc(C(CC(=O)NC2CC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2O/c1-23-14-19(17-9-5-6-10-20(17)23)18(15-7-3-2-4-8-15)13-21(24)22-16-11-12-16/h2-10,14,16,18H,11-13H2,1H3,(H,22,24)
InChIKeyYEZQMMKMGPIHCW-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.98
Rot. Bonds5

About N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide

N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide (PubChem CID 42774766) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
PubChem CID42774766
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
SMILESCn1cc(C(CC(=O)NC2CC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2O/c1-23-14-19(17-9-5-6-10-20(17)23)18(15-7-3-2-4-8-15)13-21(24)22-16-11-12-16/h2-10,14,16,18H,11-13H2,1H3,(H,22,24)
InChIKeyYEZQMMKMGPIHCW-UHFFFAOYSA-N
XLogP3.98
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide
CID 42802908
N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
CID 42776899
[2-(1-methylindol-3-yl)-2-phenylethyl]azanium acetate
CID 155823409
N-cyclohexyl-3-(1-ethylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42801294
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 46827409
ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 42774746
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide?
The IUPAC name of N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide (CID 42774766) is N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide is Cn1cc(C(CC(=O)NC2CC2)c2ccccc2)c2ccccc21.
What is the InChIKey of N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide?
The InChIKey is YEZQMMKMGPIHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-23-14-19(17-9-5-6-10-20(17)23)18(15-7-3-2-4-8-15)13-21(24)22-16-11-12-16/h2-10,14,16,18H,11-13H2,1H3,(H,22,24).
What are the key properties of N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide?
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 42774766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).