N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide

C11H17N3O3 — CID 54999160

IUPACN-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide
SMILESN#CCNC(=O)C(=O)N(CCO)C1CCCC1
InChIInChI=1S/C11H17N3O3/c12-5-6-13-10(16)11(17)14(7-8-15)9-3-1-2-4-9/h9,15H,1-4,6-8H2,(H,13,16)
InChIKeyRRFQKYIMUARFLA-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.61
Rot. Bonds4

About N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide

N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide (PubChem CID 54999160) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide
PubChem CID54999160
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide
SMILESN#CCNC(=O)C(=O)N(CCO)C1CCCC1
InChIInChI=1S/C11H17N3O3/c12-5-6-13-10(16)11(17)14(7-8-15)9-3-1-2-4-9/h9,15H,1-4,6-8H2,(H,13,16)
InChIKeyRRFQKYIMUARFLA-UHFFFAOYSA-N
XLogP-0.61
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide
CID 43316269
2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102684534
N-(cyanomethyl)-2-[cyclobutyl(3-hydroxypropyl)amino]acetamide
CID 102848492
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide
CID 62978700
1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 80598505
1-cyclopentyl-3,3-diethyl-1-(2-hydroxyethyl)urea
CID 79161969
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methoxypropanamide
CID 106112194
N-(cyanomethyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)oxamide
CID 55164012
N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79287573
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide (CID 54999160) is N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide is N#CCNC(=O)C(=O)N(CCO)C1CCCC1.
What is the InChIKey of N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide?
The InChIKey is RRFQKYIMUARFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-5-6-13-10(16)11(17)14(7-8-15)9-3-1-2-4-9/h9,15H,1-4,6-8H2,(H,13,16).
What are the key properties of N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide?
N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide has a molecular weight of 239.27 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 54999160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).