N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide

C20H26ClN3O4 — CID 167767569

IUPACN'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide
SMILESCOC1CC(NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)C1
InChIInChI=1S/C20H26ClN3O4/c1-28-15-9-14(10-15)24-20(27)19(26)23-13-7-8-17(21)16(11-13)18(25)22-12-5-3-2-4-6-12/h7-8,11-12,14-15H,2-6,9-10H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyXVJAWBUPLDYJAG-UHFFFAOYSA-N
MW407.90 g/mol
LogP2.63
Rot. Bonds5

About N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide

N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide (PubChem CID 167767569) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide.

Molecular Properties

Compound NameN'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide
PubChem CID167767569
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC NameN'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide
SMILESCOC1CC(NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)C1
InChIInChI=1S/C20H26ClN3O4/c1-28-15-9-14(10-15)24-20(27)19(26)23-13-7-8-17(21)16(11-13)18(25)22-12-5-3-2-4-6-12/h7-8,11-12,14-15H,2-6,9-10H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyXVJAWBUPLDYJAG-UHFFFAOYSA-N
XLogP2.63
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
methyl 2-chloro-5-(cycloheptylcarbamothioylamino)benzoate
CID 100601603
5-acetamido-N-cycloheptyl-2-methoxybenzamide
CID 110764502
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
N-cycloheptyl-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7585166
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide?
The IUPAC name of N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide (CID 167767569) is N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide.
What is the SMILES notation for N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide?
The canonical SMILES for N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide is COC1CC(NC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)C1.
What is the InChIKey of N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide?
The InChIKey is XVJAWBUPLDYJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O4/c1-28-15-9-14(10-15)24-20(27)19(26)23-13-7-8-17(21)16(11-13)18(25)22-12-5-3-2-4-6-12/h7-8,11-12,14-15H,2-6,9-10H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide?
N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide has a molecular weight of 407.90 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide is sourced from PubChem (CID 167767569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).