N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide

C11H21N3O2 — CID 107416399

IUPACN-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide
SMILESCC1CCCC1CNC(=O)C(=O)NCCN
InChIInChI=1S/C11H21N3O2/c1-8-3-2-4-9(8)7-14-11(16)10(15)13-6-5-12/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyUWCNEMIZXBHQOK-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.39
Rot. Bonds4

About N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide

N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide (PubChem CID 107416399) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide
PubChem CID107416399
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide
SMILESCC1CCCC1CNC(=O)C(=O)NCCN
InChIInChI=1S/C11H21N3O2/c1-8-3-2-4-9(8)7-14-11(16)10(15)13-6-5-12/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyUWCNEMIZXBHQOK-UHFFFAOYSA-N
XLogP-0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]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

(2-methylcyclopentyl)methylurea
CID 107417745
3-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417700
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 107416685
N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide
CID 107411052
7-amino-N-[(2-methylcyclohexyl)methyl]heptanamide
CID 55012025
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081
2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418039
3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417690
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide (CID 107416399) is N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide is CC1CCCC1CNC(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide?
The InChIKey is UWCNEMIZXBHQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8-3-2-4-9(8)7-14-11(16)10(15)13-6-5-12/h8-9H,2-7,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide?
N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide has a molecular weight of 227.31 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide is sourced from PubChem (CID 107416399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).