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

C23H28N2O3 — CID 9178401

IUPACN-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
SMILESCCCCCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cc(C)ccc21
InChIInChI=1S/C23H28N2O3/c1-4-5-8-13-28-21-10-7-6-9-18(21)15-25-20-12-11-16(2)14-19(20)22(23(25)27)24-17(3)26/h6-7,9-12,14,22H,4-5,8,13,15H2,1-3H3,(H,24,26)/t22-/m0/s1
InChIKeyDNEPOJYNROGMGT-QFIPXVFZSA-N
MW380.49 g/mol
LogP4.29
Rot. Bonds8

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

N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide (PubChem CID 9178401) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
PubChem CID9178401
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
SMILESCCCCCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cc(C)ccc21
InChIInChI=1S/C23H28N2O3/c1-4-5-8-13-28-21-10-7-6-9-18(21)15-25-20-12-11-16(2)14-19(20)22(23(25)27)24-17(3)26/h6-7,9-12,14,22H,4-5,8,13,15H2,1-3H3,(H,24,26)/t22-/m0/s1
InChIKeyDNEPOJYNROGMGT-QFIPXVFZSA-N
XLogP4.29
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 ≤ 54.29
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)-1-[(2-ethoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178396
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-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178835
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-[(3R)-5-methyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178450
N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178417
N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178720
N-[(3R)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942908
N-[(3S)-5-methyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 942909
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178440

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide (CID 9178401) is N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide is CCCCCOc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2cc(C)ccc21.
What is the InChIKey of N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The InChIKey is DNEPOJYNROGMGT-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-5-8-13-28-21-10-7-6-9-18(21)15-25-20-12-11-16(2)14-19(20)22(23(25)27)24-17(3)26/h6-7,9-12,14,22H,4-5,8,13,15H2,1-3H3,(H,24,26)/t22-/m0/s1.
What are the key properties of N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).