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

C16H25N3O3 — CID 90496370

IUPACN'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
SMILESCn1cccc1C(O)CNC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H25N3O3/c1-19-10-6-9-13(19)14(20)11-17-15(21)16(22)18-12-7-4-2-3-5-8-12/h6,9-10,12,14,20H,2-5,7-8,11H2,1H3,(H,17,21)(H,18,22)
InChIKeyQIKNEWWZTPLRNF-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.01
Rot. Bonds4

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

N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide (PubChem CID 90496370) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
PubChem CID90496370
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
SMILESCn1cccc1C(O)CNC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H25N3O3/c1-19-10-6-9-13(19)14(20)11-17-15(21)16(22)18-12-7-4-2-3-5-8-12/h6,9-10,12,14,20H,2-5,7-8,11H2,1H3,(H,17,21)(H,18,22)
InChIKeyQIKNEWWZTPLRNF-UHFFFAOYSA-N
XLogP1.01
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.01
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-methylpyrrol-2-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'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344076
1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea
CID 99998094
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179980
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 51894409
N'-cyclopentyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 95986740
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide
CID 90496364
N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581640
N-[(4-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496402
N-[(2-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 71781641
N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373749
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496403
N'-cyclopropyl-N-[2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 71798378

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide (CID 90496370) is N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide is Cn1cccc1C(O)CNC(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The InChIKey is QIKNEWWZTPLRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-19-10-6-9-13(19)14(20)11-17-15(21)16(22)18-12-7-4-2-3-5-8-12/h6,9-10,12,14,20H,2-5,7-8,11H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide has a molecular weight of 307.39 g/mol, XLogP of 1.01, 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-methylpyrrol-2-yl)ethyl]oxamide is sourced from PubChem (CID 90496370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).