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

C14H18N2O3 — CID 110005848

IUPACN-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1cccc2[nH]cc(CC(=O)NCCCO)c12
InChIInChI=1S/C14H18N2O3/c1-19-12-5-2-4-11-14(12)10(9-16-11)8-13(18)15-6-3-7-17/h2,4-5,9,16-17H,3,6-8H2,1H3,(H,15,18)
InChIKeyKLAFVLYKAULIIE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.22
Rot. Bonds6

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

N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide (PubChem CID 110005848) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
PubChem CID110005848
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1cccc2[nH]cc(CC(=O)NCCCO)c12
InChIInChI=1S/C14H18N2O3/c1-19-12-5-2-4-11-14(12)10(9-16-11)8-13(18)15-6-3-7-17/h2,4-5,9,16-17H,3,6-8H2,1H3,(H,15,18)
InChIKeyKLAFVLYKAULIIE-UHFFFAOYSA-N
XLogP1.22
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
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-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179
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-(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-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide (CID 110005848) is N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide is COc1cccc2[nH]cc(CC(=O)NCCCO)c12.
What is the InChIKey of N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is KLAFVLYKAULIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-12-5-2-4-11-14(12)10(9-16-11)8-13(18)15-6-3-7-17/h2,4-5,9,16-17H,3,6-8H2,1H3,(H,15,18).
What are the key properties of N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110005848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).