N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide

C22H26N2O3 — CID 9178487

IUPACN-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cccc(C)c21
InChIInChI=1S/C22H26N2O3/c1-4-5-13-27-19-12-7-6-10-17(19)14-24-21-15(2)9-8-11-18(21)20(22(24)26)23-16(3)25/h6-12,20H,4-5,13-14H2,1-3H3,(H,23,25)/t20-/m0/s1
InChIKeyDZXIHDVEKWBWDK-FQEVSTJZSA-N
MW366.46 g/mol
LogP3.90
Rot. Bonds7

About N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178487) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178487
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cccc(C)c21
InChIInChI=1S/C22H26N2O3/c1-4-5-13-27-19-12-7-6-10-17(19)14-24-21-15(2)9-8-11-18(21)20(22(24)26)23-16(3)25/h6-12,20H,4-5,13-14H2,1-3H3,(H,23,25)/t20-/m0/s1
InChIKeyDZXIHDVEKWBWDK-FQEVSTJZSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.90
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)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178718
N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178401
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178530
N-[(3R)-7-methyl-2-oxo-1-(3-phenoxypropyl)-3H-indol-3-yl]acetamide
CID 9178542
N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178720
N-[(3R)-7-methyl-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178562
N-[(3R)-7-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178510
N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178835
N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 25489522
N-[(3R)-1-[(2-ethoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178396
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447367
N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447200

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178487) is N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide is CCCCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cccc(C)c21.
What is the InChIKey of N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is DZXIHDVEKWBWDK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-5-13-27-19-12-7-6-10-17(19)14-24-21-15(2)9-8-11-18(21)20(22(24)26)23-16(3)25/h6-12,20H,4-5,13-14H2,1-3H3,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).