3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide

C16H20N2O2 — CID 67394993

IUPAC3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide
SMILESCOc1ccc2[nH]cc(C(CC3CC3)C(N)=O)c2c1C
InChIInChI=1S/C16H20N2O2/c1-9-14(20-2)6-5-13-15(9)12(8-18-13)11(16(17)19)7-10-3-4-10/h5-6,8,10-11,18H,3-4,7H2,1-2H3,(H2,17,19)
InChIKeyBCAIWNRUJOJOFW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.85
Rot. Bonds5

About 3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide

3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide (PubChem CID 67394993) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide
PubChem CID67394993
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide
SMILESCOc1ccc2[nH]cc(C(CC3CC3)C(N)=O)c2c1C
InChIInChI=1S/C16H20N2O2/c1-9-14(20-2)6-5-13-15(9)12(8-18-13)11(16(17)19)7-10-3-4-10/h5-6,8,10-11,18H,3-4,7H2,1-2H3,(H2,17,19)
InChIKeyBCAIWNRUJOJOFW-UHFFFAOYSA-N
XLogP2.85
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide?
The IUPAC name of 3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide (CID 67394993) is 3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for 3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide?
The canonical SMILES for 3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide is COc1ccc2[nH]cc(C(CC3CC3)C(N)=O)c2c1C.
What is the InChIKey of 3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide?
The InChIKey is BCAIWNRUJOJOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-14(20-2)6-5-13-15(9)12(8-18-13)11(16(17)19)7-10-3-4-10/h5-6,8,10-11,18H,3-4,7H2,1-2H3,(H2,17,19).
What are the key properties of 3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide?
3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(5-methoxy-4-methyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 67394993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).