N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide

C24H28N2O3 — CID 51055341

IUPACN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1ccccc1C1(CNC(=O)Cc2cn(C)c3ccccc23)CCOCC1
InChIInChI=1S/C24H28N2O3/c1-26-16-18(19-7-3-5-9-21(19)26)15-23(27)25-17-24(11-13-29-14-12-24)20-8-4-6-10-22(20)28-2/h3-10,16H,11-15,17H2,1-2H3,(H,25,27)
InChIKeyPZXJPMAIJZZGCD-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.59
Rot. Bonds6

About N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide

N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 51055341) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID51055341
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCOc1ccccc1C1(CNC(=O)Cc2cn(C)c3ccccc23)CCOCC1
InChIInChI=1S/C24H28N2O3/c1-26-16-18(19-7-3-5-9-21(19)26)15-23(27)25-17-24(11-13-29-14-12-24)20-8-4-6-10-22(20)28-2/h3-10,16H,11-15,17H2,1-2H3,(H,25,27)
InChIKeyPZXJPMAIJZZGCD-UHFFFAOYSA-N
XLogP3.59
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27452518
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
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
3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084931
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27449368

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide (CID 51055341) is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide is COc1ccccc1C1(CNC(=O)Cc2cn(C)c3ccccc23)CCOCC1.
What is the InChIKey of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is PZXJPMAIJZZGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-26-16-18(19-7-3-5-9-21(19)26)15-23(27)25-17-24(11-13-29-14-12-24)20-8-4-6-10-22(20)28-2/h3-10,16H,11-15,17H2,1-2H3,(H,25,27).
What are the key properties of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 51055341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).