N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide

C16H20N2O3 — CID 79037076

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2(O)CCOCC2)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-18-10-13(12-4-2-3-5-14(12)18)15(19)17-11-16(20)6-8-21-9-7-16/h2-5,10,20H,6-9,11H2,1H3,(H,17,19)
InChIKeyUMFRMMJMPXLOJR-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.45
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide (PubChem CID 79037076) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide
PubChem CID79037076
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2(O)CCOCC2)c2ccccc21
InChIInChI=1S/C16H20N2O3/c1-18-10-13(12-4-2-3-5-14(12)18)15(19)17-11-16(20)6-8-21-9-7-16/h2-5,10,20H,6-9,11H2,1H3,(H,17,19)
InChIKeyUMFRMMJMPXLOJR-UHFFFAOYSA-N
XLogP1.45
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-methylindole-3-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214944
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
5-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 111486355
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
CID 29223882
2-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzamide
CID 111486058
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
3-[2-[(4-hydroxyoxan-4-yl)methylcarbamoyl]phenyl]propanoic acid
CID 146133270
N-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 79038757

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide (CID 79037076) is N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NCC2(O)CCOCC2)c2ccccc21.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide?
The InChIKey is UMFRMMJMPXLOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18-10-13(12-4-2-3-5-14(12)18)15(19)17-11-16(20)6-8-21-9-7-16/h2-5,10,20H,6-9,11H2,1H3,(H,17,19).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.45, 3 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]-1-methylindole-3-carboxamide is sourced from PubChem (CID 79037076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).