N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide

C17H24N2O3 — CID 125144930

IUPACN'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide
SMILESCC(C)Oc1ccc(CNC(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)22-15-9-7-13(8-10-15)11-18-16(20)17(21)19-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKYZOVEMSFWPIHJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.15
Rot. Bonds5

About N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide

N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide (PubChem CID 125144930) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide
PubChem CID125144930
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide
SMILESCC(C)Oc1ccc(CNC(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(2)22-15-9-7-13(8-10-15)11-18-16(20)17(21)19-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKYZOVEMSFWPIHJ-UHFFFAOYSA-N
XLogP2.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.15
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-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108986381
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144932
2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 110013989
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
N-cyclopentyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942248
cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132224
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7193376
N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide
CID 17248855
N-cyclopentyl-4-[2-(4-propan-2-yloxyphenyl)acetyl]piperazine-1-carboxamide
CID 110813016
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942623

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide (CID 125144930) is N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide is CC(C)Oc1ccc(CNC(=O)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide?
The InChIKey is KYZOVEMSFWPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)22-15-9-7-13(8-10-15)11-18-16(20)17(21)19-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide?
N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide has a molecular weight of 304.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(4-propan-2-yloxyphenyl)methyl]oxamide is sourced from PubChem (CID 125144930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).