N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide

C23H28N2O3 — CID 9178835

IUPACN-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1ccccc1OCC
InChIInChI=1S/C23H28N2O3/c1-4-6-9-17-12-13-20-19(14-17)22(24-16(3)26)23(27)25(20)15-18-10-7-8-11-21(18)28-5-2/h7-8,10-14,22H,4-6,9,15H2,1-3H3,(H,24,26)/t22-/m0/s1
InChIKeyVAMJKRVXCJAVNZ-QFIPXVFZSA-N
MW380.49 g/mol
LogP4.15
Rot. Bonds8

About N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178835) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178835
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1ccccc1OCC
InChIInChI=1S/C23H28N2O3/c1-4-6-9-17-12-13-20-19(14-17)22(24-16(3)26)23(27)25(20)15-18-10-7-8-11-21(18)28-5-2/h7-8,10-14,22H,4-6,9,15H2,1-3H3,(H,24,26)/t22-/m0/s1
InChIKeyVAMJKRVXCJAVNZ-QFIPXVFZSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[(2-ethoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178396
N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178401
N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178813
N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178851
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-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178487
N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 25489522
N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178718
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447280
N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide
CID 51524960
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-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide (CID 9178835) is N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide is CCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1ccccc1OCC.
What is the InChIKey of N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is VAMJKRVXCJAVNZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-6-9-17-12-13-20-19(14-17)22(24-16(3)26)23(27)25(20)15-18-10-7-8-11-21(18)28-5-2/h7-8,10-14,22H,4-6,9,15H2,1-3H3,(H,24,26)/t22-/m0/s1.
What are the key properties of N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.15, 8 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-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).