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

C22H33N3O2 — CID 5150993

IUPACN'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=C1CCCCCCCCCCC1)c1ccccc1
InChIInChI=1S/C22H33N3O2/c1-18(19-14-10-9-11-15-19)23-21(26)22(27)25-24-20-16-12-7-5-3-2-4-6-8-13-17-20/h9-11,14-15,18H,2-8,12-13,16-17H2,1H3,(H,23,26)(H,25,27)
InChIKeyHPBWMAWTLYZRHB-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.64
Rot. Bonds3

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

N'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide (PubChem CID 5150993) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide
PubChem CID5150993
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NN=C1CCCCCCCCCCC1)c1ccccc1
InChIInChI=1S/C22H33N3O2/c1-18(19-14-10-9-11-15-19)23-21(26)22(27)25-24-20-16-12-7-5-3-2-4-6-8-13-17-20/h9-11,14-15,18H,2-8,12-13,16-17H2,1H3,(H,23,26)(H,25,27)
InChIKeyHPBWMAWTLYZRHB-UHFFFAOYSA-N
XLogP4.64
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.64
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'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide (CID 5150993) is N'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NN=C1CCCCCCCCCCC1)c1ccccc1.
What is the InChIKey of N'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide?
The InChIKey is HPBWMAWTLYZRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-18(19-14-10-9-11-15-19)23-21(26)22(27)25-24-20-16-12-7-5-3-2-4-6-8-13-17-20/h9-11,14-15,18H,2-8,12-13,16-17H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide?
N'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide has a molecular weight of 371.53 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclododecylideneamino)-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 5150993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).