N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide

C15H20N2O3 — CID 110005854

IUPACN-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
SMILESCCC(CO)NC(=O)Cc1c[nH]c2cccc(OC)c12
InChIInChI=1S/C15H20N2O3/c1-3-11(9-18)17-14(19)7-10-8-16-12-5-4-6-13(20-2)15(10)12/h4-6,8,11,16,18H,3,7,9H2,1-2H3,(H,17,19)
InChIKeyKOABUJSFAVOXMO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.61
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide

N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide (PubChem CID 110005854) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
PubChem CID110005854
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
SMILESCCC(CO)NC(=O)Cc1c[nH]c2cccc(OC)c12
InChIInChI=1S/C15H20N2O3/c1-3-11(9-18)17-14(19)7-10-8-16-12-5-4-6-13(20-2)15(10)12/h4-6,8,11,16,18H,3,7,9H2,1-2H3,(H,17,19)
InChIKeyKOABUJSFAVOXMO-UHFFFAOYSA-N
XLogP1.61
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005911
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007526
N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007760
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110009904
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
N-(2-fluorophenyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110858538
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide (CID 110005854) is N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide is CCC(CO)NC(=O)Cc1c[nH]c2cccc(OC)c12.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is KOABUJSFAVOXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-11(9-18)17-14(19)7-10-8-16-12-5-4-6-13(20-2)15(10)12/h4-6,8,11,16,18H,3,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110005854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).