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

C17H24N2O3 — CID 110007526

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1cccc2[nH]cc(CC(=O)NC(CCO)C(C)C)c12
InChIInChI=1S/C17H24N2O3/c1-11(2)13(7-8-20)19-16(21)9-12-10-18-14-5-4-6-15(22-3)17(12)14/h4-6,10-11,13,18,20H,7-9H2,1-3H3,(H,19,21)
InChIKeyOGSVHWPUYSECRN-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.24
Rot. Bonds7

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

N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide (PubChem CID 110007526) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
PubChem CID110007526
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1cccc2[nH]cc(CC(=O)NC(CCO)C(C)C)c12
InChIInChI=1S/C17H24N2O3/c1-11(2)13(7-8-20)19-16(21)9-12-10-18-14-5-4-6-15(22-3)17(12)14/h4-6,10-11,13,18,20H,7-9H2,1-3H3,(H,19,21)
InChIKeyOGSVHWPUYSECRN-UHFFFAOYSA-N
XLogP2.24
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.24
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-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007760
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
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
N-(1-chloro-4-methylpentan-3-yl)-2-(2-methoxyphenyl)acetamide
CID 106354657

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide (CID 110007526) is N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide is COc1cccc2[nH]cc(CC(=O)NC(CCO)C(C)C)c12.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is OGSVHWPUYSECRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)13(7-8-20)19-16(21)9-12-10-18-14-5-4-6-15(22-3)17(12)14/h4-6,10-11,13,18,20H,7-9H2,1-3H3,(H,19,21).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110007526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).