N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide

C18H26N2O2 — CID 11681026

IUPACN-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide
SMILESCCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C18H26N2O2/c1-6-7-17(21)19-12-18(2,3)15-11-20(4)16-9-8-13(22-5)10-14(15)16/h8-11H,6-7,12H2,1-5H3,(H,19,21)
InChIKeyNZWXLQGBITVFAR-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide

N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide (PubChem CID 11681026) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide
PubChem CID11681026
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide
SMILESCCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C18H26N2O2/c1-6-7-17(21)19-12-18(2,3)15-11-20(4)16-9-8-13(22-5)10-14(15)16/h8-11H,6-7,12H2,1-5H3,(H,19,21)
InChIKeyNZWXLQGBITVFAR-UHFFFAOYSA-N
XLogP3.38
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide?
The IUPAC name of N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide (CID 11681026) is N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide.
What is the SMILES notation for N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide?
The canonical SMILES for N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide is CCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide?
The InChIKey is NZWXLQGBITVFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-6-7-17(21)19-12-18(2,3)15-11-20(4)16-9-8-13(22-5)10-14(15)16/h8-11H,6-7,12H2,1-5H3,(H,19,21).
What are the key properties of N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide?
N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide has a molecular weight of 302.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-methylindol-3-yl)-2-methylpropyl]butanamide is sourced from PubChem (CID 11681026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).