N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide

C16H20N2O3 — CID 114951440

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H20N2O3/c1-18(11-16(20)6-9-21-10-7-16)15(19)13-3-2-4-14-12(13)5-8-17-14/h2-5,8,17,20H,6-7,9-11H2,1H3
InChIKeySTMMDFBCGKPDLQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.78
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide (PubChem CID 114951440) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide
PubChem CID114951440
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C16H20N2O3/c1-18(11-16(20)6-9-21-10-7-16)15(19)13-3-2-4-14-12(13)5-8-17-14/h2-5,8,17,20H,6-7,9-11H2,1H3
InChIKeySTMMDFBCGKPDLQ-UHFFFAOYSA-N
XLogP1.78
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide
CID 105420080
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
CID 115759557
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide
CID 60959512
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
N-[(4-hydroxyoxan-4-yl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 114951367
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethylbenzamide
CID 114949584
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114948839
5-bromo-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949575
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,5-triiodo-N-methylbenzamide
CID 114951412
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 64512455

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide (CID 114951440) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide is CN(CC1(O)CCOCC1)C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide?
The InChIKey is STMMDFBCGKPDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(11-16(20)6-9-21-10-7-16)15(19)13-3-2-4-14-12(13)5-8-17-14/h2-5,8,17,20H,6-7,9-11H2,1H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide is sourced from PubChem (CID 114951440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).