N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide

C15H19N3O2 — CID 2844383

IUPACN'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NN=C1CCCC1
InChIInChI=1S/C15H19N3O2/c19-14(15(20)18-17-13-8-4-5-9-13)16-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,19)(H,18,20)
InChIKeyPIIXHXYQSSMQCO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.39
Rot. Bonds4

About N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide

N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide (PubChem CID 2844383) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide
PubChem CID2844383
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NN=C1CCCC1
InChIInChI=1S/C15H19N3O2/c19-14(15(20)18-17-13-8-4-5-9-13)16-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,19)(H,18,20)
InChIKeyPIIXHXYQSSMQCO-UHFFFAOYSA-N
XLogP1.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide (CID 2844383) is N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)NN=C1CCCC1.
What is the InChIKey of N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide?
The InChIKey is PIIXHXYQSSMQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14(15(20)18-17-13-8-4-5-9-13)16-11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,19)(H,18,20).
What are the key properties of N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide?
N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide has a molecular weight of 273.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylideneamino)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 2844383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).