N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide

C23H28N2O4 — CID 25489522

IUPACN-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCOc1cccc(CN2C(=O)[C@H](NC(C)=O)c3cc(C)ccc32)c1OC
InChIInChI=1S/C23H28N2O4/c1-5-6-12-29-20-9-7-8-17(22(20)28-4)14-25-19-11-10-15(2)13-18(19)21(23(25)27)24-16(3)26/h7-11,13,21H,5-6,12,14H2,1-4H3,(H,24,26)/t21-/m1/s1
InChIKeyZWXFKOVLDHNMRX-OAQYLSRUSA-N
MW396.49 g/mol
LogP3.91
Rot. Bonds8

About N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 25489522) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID25489522
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCOc1cccc(CN2C(=O)[C@H](NC(C)=O)c3cc(C)ccc32)c1OC
InChIInChI=1S/C23H28N2O4/c1-5-6-12-29-20-9-7-8-17(22(20)28-4)14-25-19-11-10-15(2)13-18(19)21(23(25)27)24-16(3)26/h7-11,13,21H,5-6,12,14H2,1-4H3,(H,24,26)/t21-/m1/s1
InChIKeyZWXFKOVLDHNMRX-OAQYLSRUSA-N
XLogP3.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178401
N-[(3R)-1-[(2-ethoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178396
N-[(3R)-5-methyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178450
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447280
N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178487
N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178835
N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178718
N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178417
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178440
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-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide (CID 25489522) is N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide is CCCCOc1cccc(CN2C(=O)[C@H](NC(C)=O)c3cc(C)ccc32)c1OC.
What is the InChIKey of N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is ZWXFKOVLDHNMRX-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-5-6-12-29-20-9-7-8-17(22(20)28-4)14-25-19-11-10-15(2)13-18(19)21(23(25)27)24-16(3)26/h7-11,13,21H,5-6,12,14H2,1-4H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3-butoxy-2-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 25489522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).