N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide

C15H18N2O2 — CID 115759557

IUPACN-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
SMILESCC1(NC(=O)c2cccc3[nH]ccc23)CCOCC1
InChIInChI=1S/C15H18N2O2/c1-15(6-9-19-10-7-15)17-14(18)12-3-2-4-13-11(12)5-8-16-13/h2-5,8,16H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyPNWRKNSTOGQEQI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.47
Rot. Bonds2

About N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide

N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide (PubChem CID 115759557) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
PubChem CID115759557
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
SMILESCC1(NC(=O)c2cccc3[nH]ccc23)CCOCC1
InChIInChI=1S/C15H18N2O2/c1-15(6-9-19-10-7-15)17-14(18)12-3-2-4-13-11(12)5-8-16-13/h2-5,8,16H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyPNWRKNSTOGQEQI-UHFFFAOYSA-N
XLogP2.47
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide
CID 61275040
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
CID 115878331
N-(1-methylcyclopropyl)-1H-indole-3-carboxamide
CID 115634491
N-(4-methyloxan-4-yl)-1H-indole-5-carboxamide
CID 115759610
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide
CID 114951440
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
1H-indole-4-carbohydrazide
CID 43316644
2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 59314163
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide
CID 113491319
2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765655

Frequently Asked Questions

What is the IUPAC name of N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide (CID 115759557) is N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide is CC1(NC(=O)c2cccc3[nH]ccc23)CCOCC1.
What is the InChIKey of N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide?
The InChIKey is PNWRKNSTOGQEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(6-9-19-10-7-15)17-14(18)12-3-2-4-13-11(12)5-8-16-13/h2-5,8,16H,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide?
N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 115759557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).