N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide

C21H24N2O3 — CID 9178339

IUPACN-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3ccccc32)cc1
InChIInChI=1S/C21H24N2O3/c1-3-4-13-26-17-11-9-16(10-12-17)14-23-19-8-6-5-7-18(19)20(21(23)25)22-15(2)24/h5-12,20H,3-4,13-14H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyLBNUMEOHIRAZHQ-FQEVSTJZSA-N
MW352.43 g/mol
LogP3.59
Rot. Bonds7

About N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178339) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178339
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3ccccc32)cc1
InChIInChI=1S/C21H24N2O3/c1-3-4-13-26-17-11-9-16(10-12-17)14-23-19-8-6-5-7-18(19)20(21(23)25)22-15(2)24/h5-12,20H,3-4,13-14H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyLBNUMEOHIRAZHQ-FQEVSTJZSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.59
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-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178730
N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178903
N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178851
N-[(3S)-7-chloro-1-[(4-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179047
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178621
N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178835
N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178324
N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide (CID 9178339) is N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide is CCCCOc1ccc(CN2C(=O)[C@@H](NC(C)=O)c3ccccc32)cc1.
What is the InChIKey of N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is LBNUMEOHIRAZHQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-4-13-26-17-11-9-16(10-12-17)14-23-19-8-6-5-7-18(19)20(21(23)25)22-15(2)24/h5-12,20H,3-4,13-14H2,1-2H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).