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

C22H24N2O3 — CID 9178720

IUPACN-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide
SMILESC=CCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2cc(C)cc(C)c21
InChIInChI=1S/C22H24N2O3/c1-5-10-27-19-9-7-6-8-17(19)13-24-21-15(3)11-14(2)12-18(21)20(22(24)26)23-16(4)25/h5-9,11-12,20H,1,10,13H2,2-4H3,(H,23,25)/t20-/m1/s1
InChIKeyNLJKJBBLSLDCBD-HXUWFJFHSA-N
MW364.45 g/mol
LogP3.59
Rot. Bonds6

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

N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide (PubChem CID 9178720) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide
PubChem CID9178720
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide
SMILESC=CCOc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2cc(C)cc(C)c21
InChIInChI=1S/C22H24N2O3/c1-5-10-27-19-9-7-6-8-17(19)13-24-21-15(3)11-14(2)12-18(21)20(22(24)26)23-16(4)25/h5-9,11-12,20H,1,10,13H2,2-4H3,(H,23,25)/t20-/m1/s1
InChIKeyNLJKJBBLSLDCBD-HXUWFJFHSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)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-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178718
N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336
N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178752
N-[(3S)-1-[(2-butoxyphenyl)methyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178487
N-[(3R)-1-[(2-ethoxyphenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178396
N-[(3R)-5,7-dimethyl-2-oxo-1-(2-phenoxyethyl)-3H-indol-3-yl]acetamide
CID 9178750
N-[(3S)-5,7-dimethyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178795
N-[5,7-dimethyl-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
CID 4555330
N-[(3S)-5-methyl-2-oxo-1-[(2-pentoxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178401
N-[(3S)-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178779
N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178767
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-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide (CID 9178720) is N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide is C=CCOc1ccccc1CN1C(=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-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The InChIKey is NLJKJBBLSLDCBD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-10-27-19-9-7-6-8-17(19)13-24-21-15(3)11-14(2)12-18(21)20(22(24)26)23-16(4)25/h5-9,11-12,20H,1,10,13H2,2-4H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide?
N-[(3R)-5,7-dimethyl-2-oxo-1-[(2-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.59, 6 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-prop-2-enoxyphenyl)methyl]-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).