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

C14H18N2O3 — CID 110005911

IUPACN-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1cccc2[nH]cc(CC(=O)NC(C)CO)c12
InChIInChI=1S/C14H18N2O3/c1-9(8-17)16-13(18)6-10-7-15-11-4-3-5-12(19-2)14(10)11/h3-5,7,9,15,17H,6,8H2,1-2H3,(H,16,18)
InChIKeyKKVSUOLEFGWRCA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.22
Rot. Bonds5

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

N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide (PubChem CID 110005911) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
PubChem CID110005911
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1cccc2[nH]cc(CC(=O)NC(C)CO)c12
InChIInChI=1S/C14H18N2O3/c1-9(8-17)16-13(18)6-10-7-15-11-4-3-5-12(19-2)14(10)11/h3-5,7,9,15,17H,6,8H2,1-2H3,(H,16,18)
InChIKeyKKVSUOLEFGWRCA-UHFFFAOYSA-N
XLogP1.22
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007526
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179
N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007760
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
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
N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide
CID 110848452

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide (CID 110005911) is N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide is COc1cccc2[nH]cc(CC(=O)NC(C)CO)c12.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is KKVSUOLEFGWRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(8-17)16-13(18)6-10-7-15-11-4-3-5-12(19-2)14(10)11/h3-5,7,9,15,17H,6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110005911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).