N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide

C23H27ClN2O3 — CID 9178903

IUPACN-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCCOc1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN2O3/c1-3-4-6-17-7-12-21-20(15-17)22(25-16(2)27)23(28)26(21)13-5-14-29-19-10-8-18(24)9-11-19/h7-12,15,22H,3-6,13-14H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyAEVXGEYTVIGNJN-QFIPXVFZSA-N
MW414.93 g/mol
LogP4.68
Rot. Bonds9

About N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178903) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178903
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCCOc1ccc(Cl)cc1
InChIInChI=1S/C23H27ClN2O3/c1-3-4-6-17-7-12-21-20(15-17)22(25-16(2)27)23(28)26(21)13-5-14-29-19-10-8-18(24)9-11-19/h7-12,15,22H,3-6,13-14H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyAEVXGEYTVIGNJN-QFIPXVFZSA-N
XLogP4.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.68
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)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993
N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178813
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178998
N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178957
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178835
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-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 7447387
N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178434
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide (CID 9178903) is N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide is CCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is AEVXGEYTVIGNJN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-3-4-6-17-7-12-21-20(15-17)22(25-16(2)27)23(28)26(21)13-5-14-29-19-10-8-18(24)9-11-19/h7-12,15,22H,3-6,13-14H2,1-2H3,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 414.93 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).