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

C17H23N3O2 — CID 3114011

IUPACN'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=C1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-13(14-9-5-4-6-10-14)18-16(21)17(22)20-19-15-11-7-2-3-8-12-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,18,21)(H,20,22)
InChIKeyMFDDKPXRWWRPTI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.69
Rot. Bonds3

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

N'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide (PubChem CID 3114011) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide
PubChem CID3114011
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=C1CCCCCC1)c1ccccc1
InChIInChI=1S/C17H23N3O2/c1-13(14-9-5-4-6-10-14)18-16(21)17(22)20-19-15-11-7-2-3-8-12-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,18,21)(H,20,22)
InChIKeyMFDDKPXRWWRPTI-UHFFFAOYSA-N
XLogP2.69
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.69
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'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide (CID 3114011) is N'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NN=C1CCCCCC1)c1ccccc1.
What is the InChIKey of N'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide?
The InChIKey is MFDDKPXRWWRPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(14-9-5-4-6-10-14)18-16(21)17(22)20-19-15-11-7-2-3-8-12-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide?
N'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide has a molecular weight of 301.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cycloheptylideneamino)-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 3114011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).