N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

C23H28N2O3 — CID 9178730

IUPACN-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCOc1ccc(CN2C(=O)[C@H](NC(C)=O)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C23H28N2O3/c1-5-6-11-28-19-9-7-18(8-10-19)14-25-22-16(3)12-15(2)13-20(22)21(23(25)27)24-17(4)26/h7-10,12-13,21H,5-6,11,14H2,1-4H3,(H,24,26)/t21-/m1/s1
InChIKeyMNPPAGZDASKQQF-OAQYLSRUSA-N
MW380.49 g/mol
LogP4.21
Rot. Bonds7

About N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178730) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178730
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCOc1ccc(CN2C(=O)[C@H](NC(C)=O)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C23H28N2O3/c1-5-6-11-28-19-9-7-18(8-10-19)14-25-22-16(3)12-15(2)13-20(22)21(23(25)27)24-17(4)26/h7-10,12-13,21H,5-6,11,14H2,1-4H3,(H,24,26)/t21-/m1/s1
InChIKeyMNPPAGZDASKQQF-OAQYLSRUSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.21
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-[(3S)-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178779
N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336
N-[(3R)-1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 2223279
N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178718
N-[(3R)-5,7-dimethyl-2-oxo-1-(2-phenoxyethyl)-3H-indol-3-yl]acetamide
CID 9178750
N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178621
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3R)-5,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178778
N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178752
N-[(3R)-7-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178510
N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178767

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178730) is N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is CCCCOc1ccc(CN2C(=O)[C@H](NC(C)=O)c3cc(C)cc(C)c32)cc1.
What is the InChIKey of N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is MNPPAGZDASKQQF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-6-11-28-19-9-7-18(8-10-19)14-25-22-16(3)12-15(2)13-20(22)21(23(25)27)24-17(4)26/h7-10,12-13,21H,5-6,11,14H2,1-4H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).