N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide

C18H26N2O2 — CID 9178813

IUPACN-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCCC
InChIInChI=1S/C18H26N2O2/c1-4-6-8-14-9-10-16-15(12-14)17(19-13(3)21)18(22)20(16)11-7-5-2/h9-10,12,17H,4-8,11H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyGWQUQLFCKFRSLO-KRWDZBQOSA-N
MW302.42 g/mol
LogP3.35
Rot. Bonds7

About N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178813) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178813
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCCC
InChIInChI=1S/C18H26N2O2/c1-4-6-8-14-9-10-16-15(12-14)17(19-13(3)21)18(22)20(16)11-7-5-2/h9-10,12,17H,4-8,11H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyGWQUQLFCKFRSLO-KRWDZBQOSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178835
N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
CID 9178801
N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide
CID 51524960
N-[(3S)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942909
N-[(3R)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942908
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3R)-5-fluoro-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7677929
N-[(3R)-5-bromo-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 7707518
N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993
N-[(3S)-1-(3-bromopropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178324

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178813) is N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide is CCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCCC.
What is the InChIKey of N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is GWQUQLFCKFRSLO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-6-8-14-9-10-16-15(12-14)17(19-13(3)21)18(22)20(16)11-7-5-2/h9-10,12,17H,4-8,11H2,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).