N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

C25H32N2O3 — CID 9178621

IUPACN-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCCCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3c(C)ccc(C)c32)cc1
InChIInChI=1S/C25H32N2O3/c1-5-6-7-8-15-30-21-13-11-20(12-14-21)16-27-24-18(3)10-9-17(2)22(24)23(25(27)29)26-19(4)28/h9-14,23H,5-8,15-16H2,1-4H3,(H,26,28)/t23-/m0/s1
InChIKeyCHXLMMXHUFNJAJ-QHCPKHFHSA-N
MW408.54 g/mol
LogP4.99
Rot. Bonds9

About N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178621) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178621
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCCCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3c(C)ccc(C)c32)cc1
InChIInChI=1S/C25H32N2O3/c1-5-6-7-8-15-30-21-13-11-20(12-14-21)16-27-24-18(3)10-9-17(2)22(24)23(25(27)29)26-19(4)28/h9-14,23H,5-8,15-16H2,1-4H3,(H,26,28)/t23-/m0/s1
InChIKeyCHXLMMXHUFNJAJ-QHCPKHFHSA-N
XLogP4.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178730
N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178648
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178627
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178639
N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7219614
N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179047
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178644
1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
CID 18888365
N-[(3R)-7-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178510
N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178718

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178621) is N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is CCCCCCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3c(C)ccc(C)c32)cc1.
What is the InChIKey of N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is CHXLMMXHUFNJAJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-5-6-7-8-15-30-21-13-11-20(12-14-21)16-27-24-18(3)10-9-17(2)22(24)23(25(27)29)26-19(4)28/h9-14,23H,5-8,15-16H2,1-4H3,(H,26,28)/t23-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 408.54 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).