N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide

C23H26N2O3 — CID 166180851

IUPACN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide
SMILESCOc1ccccc1C1(CNC(=O)c2cc3cccc(C)c3[nH]2)CCOCC1
InChIInChI=1S/C23H26N2O3/c1-16-6-5-7-17-14-19(25-21(16)17)22(26)24-15-23(10-12-28-13-11-23)18-8-3-4-9-20(18)27-2/h3-9,14,25H,10-13,15H2,1-2H3,(H,24,26)
InChIKeyOPYDQYBCHRKYNL-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.96
Rot. Bonds5

About N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide

N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide (PubChem CID 166180851) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide
PubChem CID166180851
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide
SMILESCOc1ccccc1C1(CNC(=O)c2cc3cccc(C)c3[nH]2)CCOCC1
InChIInChI=1S/C23H26N2O3/c1-16-6-5-7-17-14-19(25-21(16)17)22(26)24-15-23(10-12-28-13-11-23)18-8-3-4-9-20(18)27-2/h3-9,14,25H,10-13,15H2,1-2H3,(H,24,26)
InChIKeyOPYDQYBCHRKYNL-UHFFFAOYSA-N
XLogP3.96
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405
3-bromo-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449390
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27449368
N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 47697691
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propan-2-yloxybenzamide
CID 27449266
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27452518
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 27451012

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide (CID 166180851) is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide is COc1ccccc1C1(CNC(=O)c2cc3cccc(C)c3[nH]2)CCOCC1.
What is the InChIKey of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide?
The InChIKey is OPYDQYBCHRKYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-6-5-7-17-14-19(25-21(16)17)22(26)24-15-23(10-12-28-13-11-23)18-8-3-4-9-20(18)27-2/h3-9,14,25H,10-13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide?
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-7-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166180851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).