2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide

C14H18N2O2 — CID 110847876

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NC(C)C)c2c1
InChIInChI=1S/C14H18N2O2/c1-9(2)16-14(17)6-10-8-15-13-5-4-11(18-3)7-12(10)13/h4-5,7-9,15H,6H2,1-3H3,(H,16,17)
InChIKeyDQHVHILFAKQIDL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.24
Rot. Bonds4

About 2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide

2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide (PubChem CID 110847876) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
PubChem CID110847876
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NC(C)C)c2c1
InChIInChI=1S/C14H18N2O2/c1-9(2)16-14(17)6-10-8-15-13-5-4-11(18-3)7-12(10)13/h4-5,7-9,15H,6H2,1-3H3,(H,16,17)
InChIKeyDQHVHILFAKQIDL-UHFFFAOYSA-N
XLogP2.24
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide
CID 86985615
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
(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
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113209654
methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate
CID 59079811

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide (CID 110847876) is 2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide is COc1ccc2[nH]cc(CC(=O)NC(C)C)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is DQHVHILFAKQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)16-14(17)6-10-8-15-13-5-4-11(18-3)7-12(10)13/h4-5,7-9,15H,6H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide?
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 246.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110847876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).