2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide

C21H24N2O2 — CID 10688272

IUPAC2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide
SMILESCCCc1c(CC(N)=O)c2cc(OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-3-7-19-18(13-21(22)24)17-12-16(25-2)10-11-20(17)23(19)14-15-8-5-4-6-9-15/h4-6,8-12H,3,7,13-14H2,1-2H3,(H2,22,24)
InChIKeyUNIVELNNDYIUPP-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.68
Rot. Bonds7

About 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide

2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide (PubChem CID 10688272) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide
PubChem CID10688272
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide
SMILESCCCc1c(CC(N)=O)c2cc(OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-3-7-19-18(13-21(22)24)17-12-16(25-2)10-11-20(17)23(19)14-15-8-5-4-6-9-15/h4-6,8-12H,3,7,13-14H2,1-2H3,(H2,22,24)
InChIKeyUNIVELNNDYIUPP-UHFFFAOYSA-N
XLogP3.68
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetic acid
CID 21191884
2-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]oxymethyl]benzoic acid
CID 10623063
3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]oxypropyl-methoxyphosphinic acid
CID 10623151
1-benzyl-2-ethyl-5-methoxyindol-3-amine
CID 58986334
2-[1-benzyl-5-methoxy-2-(4-methoxyphenyl)indol-3-yl]acetic acid
CID 67748943
methyl 2-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindole-5-carbonyl]benzoate
CID 67727130
2-(9-benzyl-4-ethyl-6-methoxy-1-methylsulfanylcarbazol-2-yl)acetic acid
CID 67696118
2-(1-benzyl-2-cyclopropyl-5-methoxyindol-3-yl)acetic acid
CID 21191871
2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid
CID 67649862
5-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxypentanoic acid
CID 10620653
methyl 5-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxypentanoate
CID 10573508
2-[5-methoxy-2-methyl-1-[(4-phenylmethoxyphenyl)methyl]indol-3-yl]acetic acid
CID 21191889

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide (CID 10688272) is 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide is CCCc1c(CC(N)=O)c2cc(OC)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide?
The InChIKey is UNIVELNNDYIUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-7-19-18(13-21(22)24)17-12-16(25-2)10-11-20(17)23(19)14-15-8-5-4-6-9-15/h4-6,8-12H,3,7,13-14H2,1-2H3,(H2,22,24).
What are the key properties of 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide?
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetamide is sourced from PubChem (CID 10688272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).