N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide

C16H20N2O3 — CID 71989531

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NCC1(O)CCOCC1
InChIInChI=1S/C16H20N2O3/c19-15(17-12-16(20)6-9-21-10-7-16)11-18-8-5-13-3-1-2-4-14(13)18/h1-5,8,20H,6-7,9-12H2,(H,17,19)
InChIKeySECRHAQDHGGMES-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.30
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide (PubChem CID 71989531) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide
PubChem CID71989531
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NCC1(O)CCOCC1
InChIInChI=1S/C16H20N2O3/c19-15(17-12-16(20)6-9-21-10-7-16)11-18-8-5-13-3-1-2-4-14(13)18/h1-5,8,20H,6-7,9-12H2,(H,17,19)
InChIKeySECRHAQDHGGMES-UHFFFAOYSA-N
XLogP1.30
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-indol-1-ylacetamide
CID 111485881
N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide
CID 71989714
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 79039361
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 79039200
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
N-[(4-hydroxyoxan-4-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 56765194
N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide
CID 56763634
2-indol-1-yl-N-[(1R)-1-(oxan-4-yl)propyl]acetamide
CID 95784949
2-indol-1-yl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide
CID 86859991
2-indol-1-yl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 122353777

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide (CID 71989531) is N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide?
The InChIKey is SECRHAQDHGGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(17-12-16(20)6-9-21-10-7-16)11-18-8-5-13-3-1-2-4-14(13)18/h1-5,8,20H,6-7,9-12H2,(H,17,19).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 71989531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).