N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide

C20H27N3O3 — CID 121179980

IUPACN'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
SMILESCn1ccc2cc(C(O)CNC(=O)C(=O)NC3CCCCCC3)ccc21
InChIInChI=1S/C20H27N3O3/c1-23-11-10-14-12-15(8-9-17(14)23)18(24)13-21-19(25)20(26)22-16-6-4-2-3-5-7-16/h8-12,16,18,24H,2-7,13H2,1H3,(H,21,25)(H,22,26)
InChIKeyYICWQYFOBLYCQI-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.17
Rot. Bonds4

About N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide

N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide (PubChem CID 121179980) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
PubChem CID121179980
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
SMILESCn1ccc2cc(C(O)CNC(=O)C(=O)NC3CCCCCC3)ccc21
InChIInChI=1S/C20H27N3O3/c1-23-11-10-14-12-15(8-9-17(14)23)18(24)13-21-19(25)20(26)22-16-6-4-2-3-5-7-16/h8-12,16,18,24H,2-7,13H2,1H3,(H,21,25)(H,22,26)
InChIKeyYICWQYFOBLYCQI-UHFFFAOYSA-N
XLogP2.17
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide 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'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121180011
N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373749
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496370
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 121179976
N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581640
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121180021
N'-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 91817742

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide (CID 121179980) is N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide is Cn1ccc2cc(C(O)CNC(=O)C(=O)NC3CCCCCC3)ccc21.
What is the InChIKey of N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide?
The InChIKey is YICWQYFOBLYCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-23-11-10-14-12-15(8-9-17(14)23)18(24)13-21-19(25)20(26)22-16-6-4-2-3-5-7-16/h8-12,16,18,24H,2-7,13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide?
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide has a molecular weight of 357.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide is sourced from PubChem (CID 121179980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).