N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide

C15H19N3O2 — CID 3113987

IUPACN'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=C1CCCC1)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-11(12-7-3-2-4-8-12)16-14(19)15(20)18-17-13-9-5-6-10-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,16,19)(H,18,20)
InChIKeyOCCZUOUPGYZZST-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.91
Rot. Bonds3

About N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide

N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide (PubChem CID 3113987) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide
PubChem CID3113987
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=C1CCCC1)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-11(12-7-3-2-4-8-12)16-14(19)15(20)18-17-13-9-5-6-10-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,16,19)(H,18,20)
InChIKeyOCCZUOUPGYZZST-UHFFFAOYSA-N
XLogP1.91
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.91
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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Related Compounds

N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide
CID 7105948
N-(cyclohexylideneamino)-2,2-diphenylacetamide
CID 968754
N-(cyclooctylideneamino)-2-hydroxy-2-phenylacetamide
CID 3659218
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850
2-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 94847399
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N'-[(E)-(2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene)amino]-N-(1-phenylethyl)oxamide
CID 135510061
N'-[[(2S)-2-phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide
CID 135503403
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide (CID 3113987) is N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NN=C1CCCC1)c1ccccc1.
What is the InChIKey of N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide?
The InChIKey is OCCZUOUPGYZZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(12-7-3-2-4-8-12)16-14(19)15(20)18-17-13-9-5-6-10-13/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,16,19)(H,18,20).
What are the key properties of N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide?
N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide has a molecular weight of 273.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylideneamino)-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 3113987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).