N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide

C24H30N2O3 — CID 9178718

IUPACN-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
SMILESCCCCCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2cc(C)cc(C)c21
InChIInChI=1S/C24H30N2O3/c1-5-6-9-12-29-21-11-8-7-10-19(21)15-26-23-17(3)13-16(2)14-20(23)22(24(26)28)25-18(4)27/h7-8,10-11,13-14,22H,5-6,9,12,15H2,1-4H3,(H,25,27)/t22-/m1/s1
InChIKeyRKFRXIQLYFWMEI-JOCHJYFZSA-N
MW394.52 g/mol
LogP4.60
Rot. Bonds8

About N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide

N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide (PubChem CID 9178718) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
PubChem CID9178718
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
SMILESCCCCCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2cc(C)cc(C)c21
InChIInChI=1S/C24H30N2O3/c1-5-6-9-12-29-21-11-8-7-10-19(21)15-26-23-17(3)13-16(2)14-20(23)22(24(26)28)25-18(4)27/h7-8,10-11,13-14,22H,5-6,9,12,15H2,1-4H3,(H,25,27)/t22-/m1/s1
InChIKeyRKFRXIQLYFWMEI-JOCHJYFZSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-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-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178720
N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178401
N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178487
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178730
N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178752
N-[(3S)-5,7-dimethyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178795
N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336
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-[(3S)-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178779
N-[(3R)-5,7-dimethyl-1-[3-(3-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178778
N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178794

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide (CID 9178718) is N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide is CCCCCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2cc(C)cc(C)c21.
What is the InChIKey of N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The InChIKey is RKFRXIQLYFWMEI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-5-6-9-12-29-21-11-8-7-10-19(21)15-26-23-17(3)13-16(2)14-20(23)22(24(26)28)25-18(4)27/h7-8,10-11,13-14,22H,5-6,9,12,15H2,1-4H3,(H,25,27)/t22-/m1/s1.
What are the key properties of N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).