2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide

C17H23N3O3 — CID 86985615

IUPAC2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)Cc1c[nH]c2ccc(OC)cc12)C(N)=O
InChIInChI=1S/C17H23N3O3/c1-4-10(2)16(17(18)22)20-15(21)7-11-9-19-14-6-5-12(23-3)8-13(11)14/h5-6,8-10,16,19H,4,7H2,1-3H3,(H2,18,22)(H,20,21)
InChIKeyVGXVLTAXMISWOA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.74
Rot. Bonds7

About 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide

2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide (PubChem CID 86985615) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide
PubChem CID86985615
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)Cc1c[nH]c2ccc(OC)cc12)C(N)=O
InChIInChI=1S/C17H23N3O3/c1-4-10(2)16(17(18)22)20-15(21)7-11-9-19-14-6-5-12(23-3)8-13(11)14/h5-6,8-10,16,19H,4,7H2,1-3H3,(H2,18,22)(H,20,21)
InChIKeyVGXVLTAXMISWOA-UHFFFAOYSA-N
XLogP1.74
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
2-(5-chloro-1H-indol-3-yl)-N-[(4S,5S)-2,5-dimethyl-3-oxoheptan-4-yl]acetamide
CID 58842077
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
(2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694580
(E)-2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]hex-4-enoic acid
CID 120692677
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate
CID 59079811
N-[1-(5-methoxy-1H-indol-3-yl)propyl]propanamide
CID 175009120

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide (CID 86985615) is 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide is CCC(C)C(NC(=O)Cc1c[nH]c2ccc(OC)cc12)C(N)=O.
What is the InChIKey of 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide?
The InChIKey is VGXVLTAXMISWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-10(2)16(17(18)22)20-15(21)7-11-9-19-14-6-5-12(23-3)8-13(11)14/h5-6,8-10,16,19H,4,7H2,1-3H3,(H2,18,22)(H,20,21).
What are the key properties of 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide?
2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide has a molecular weight of 317.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide is sourced from PubChem (CID 86985615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).