N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C23H28N2O5 — CID 55720528

IUPACN-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOc1cc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)ccc1OCC1CCCO1
InChIInChI=1S/C23H28N2O5/c1-14-21-17(6-3-7-18(21)26)25-22(14)23(27)24-12-15-8-9-19(20(11-15)28-2)30-13-16-5-4-10-29-16/h8-9,11,16,25H,3-7,10,12-13H2,1-2H3,(H,24,27)
InChIKeyPUQATXRPEZQANB-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.34
Rot. Bonds7

About N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 55720528) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID55720528
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOc1cc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)ccc1OCC1CCCO1
InChIInChI=1S/C23H28N2O5/c1-14-21-17(6-3-7-18(21)26)25-22(14)23(27)24-12-15-8-9-19(20(11-15)28-2)30-13-16-5-4-10-29-16/h8-9,11,16,25H,3-7,10,12-13H2,1-2H3,(H,24,27)
InChIKeyPUQATXRPEZQANB-UHFFFAOYSA-N
XLogP3.34
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 55708262
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
5-chloro-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51958616
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 55708234
methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
CID 60517720
N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 55707327
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
3-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 55708051

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 55720528) is N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is COc1cc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)ccc1OCC1CCCO1.
What is the InChIKey of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is PUQATXRPEZQANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-14-21-17(6-3-7-18(21)26)25-22(14)23(27)24-12-15-8-9-19(20(11-15)28-2)30-13-16-5-4-10-29-16/h8-9,11,16,25H,3-7,10,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 55720528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).