N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide

C22H26N2O2 — CID 22522929

IUPACN-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide
SMILESCCOc1ccc(CNC(=O)CCCc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C22H26N2O2/c1-3-26-19-13-11-17(12-14-19)15-23-22(25)10-6-7-18-16-24(2)21-9-5-4-8-20(18)21/h4-5,8-9,11-14,16H,3,6-7,10,15H2,1-2H3,(H,23,25)
InChIKeyWNKNRYMYVGQCAX-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.22
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide

N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide (PubChem CID 22522929) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide
PubChem CID22522929
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide
SMILESCCOc1ccc(CNC(=O)CCCc2cn(C)c3ccccc23)cc1
InChIInChI=1S/C22H26N2O2/c1-3-26-19-13-11-17(12-14-19)15-23-22(25)10-6-7-18-16-24(2)21-9-5-4-8-20(18)21/h4-5,8-9,11-14,16H,3,6-7,10,15H2,1-2H3,(H,23,25)
InChIKeyWNKNRYMYVGQCAX-UHFFFAOYSA-N
XLogP4.22
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide (CID 22522929) is N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide is CCOc1ccc(CNC(=O)CCCc2cn(C)c3ccccc23)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
The InChIKey is WNKNRYMYVGQCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-26-19-13-11-17(12-14-19)15-23-22(25)10-6-7-18-16-24(2)21-9-5-4-8-20(18)21/h4-5,8-9,11-14,16H,3,6-7,10,15H2,1-2H3,(H,23,25).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide has a molecular weight of 350.46 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 22522929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).