N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide

C18H26N2O3 — CID 108986381

IUPACN-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide
SMILESCC(C)Oc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-16-11-9-15(10-12-16)20-18(22)17(21)19-14-7-5-3-4-6-8-14/h9-14H,3-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyROEKKWAMZJTKOJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.25
Rot. Bonds4

About N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide

N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide (PubChem CID 108986381) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide
PubChem CID108986381
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide
SMILESCC(C)Oc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-16-11-9-15(10-12-16)20-18(22)17(21)19-14-7-5-3-4-6-8-14/h9-14H,3-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyROEKKWAMZJTKOJ-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942623
N-cyclopentyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942248
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144930
N-cyclohexyl-N'-phenyloxamide
CID 2271218
N-cyclohexyl-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585513
4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109080807
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152499

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide?
The IUPAC name of N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide (CID 108986381) is N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide.
What is the SMILES notation for N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide?
The canonical SMILES for N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide is CC(C)Oc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide?
The InChIKey is ROEKKWAMZJTKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)23-16-11-9-15(10-12-16)20-18(22)17(21)19-14-7-5-3-4-6-8-14/h9-14H,3-8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide?
N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide has a molecular weight of 318.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide is sourced from PubChem (CID 108986381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).