4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide

C16H22N2O — CID 3238185

IUPAC4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCc1cn(C)c2ccccc12
InChIInChI=1S/C16H22N2O/c1-12(2)17-16(19)10-6-7-13-11-18(3)15-9-5-4-8-14(13)15/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,17,19)
InChIKeyKBGBJGTYOSDAFM-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.03
Rot. Bonds5

About 4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide

4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide (PubChem CID 3238185) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide
PubChem CID3238185
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCc1cn(C)c2ccccc12
InChIInChI=1S/C16H22N2O/c1-12(2)17-16(19)10-6-7-13-11-18(3)15-9-5-4-8-14(13)15/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,17,19)
InChIKeyKBGBJGTYOSDAFM-UHFFFAOYSA-N
XLogP3.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide (CID 3238185) is 4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCc1cn(C)c2ccccc12.
What is the InChIKey of 4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide?
The InChIKey is KBGBJGTYOSDAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)17-16(19)10-6-7-13-11-18(3)15-9-5-4-8-14(13)15/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,17,19).
What are the key properties of 4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide?
4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide has a molecular weight of 258.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 3238185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).