N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide

C19H26N2O3 — CID 108984196

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide
SMILESCC(C)Oc1ccccc1NC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H26N2O3/c1-14(2)24-17-11-7-6-10-16(17)21-19(23)18(22)20-13-12-15-8-4-3-5-9-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVKPFARZFBRCKJX-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide (PubChem CID 108984196) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide
PubChem CID108984196
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide
SMILESCC(C)Oc1ccccc1NC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H26N2O3/c1-14(2)24-17-11-7-6-10-16(17)21-19(23)18(22)20-13-12-15-8-4-3-5-9-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVKPFARZFBRCKJX-UHFFFAOYSA-N
XLogP3.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86995621
4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104743
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104853
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109166704
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109227594
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 18588781
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 7585267
(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide
CID 141207877

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide (CID 108984196) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide is CC(C)Oc1ccccc1NC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide?
The InChIKey is VKPFARZFBRCKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(2)24-17-11-7-6-10-16(17)21-19(23)18(22)20-13-12-15-8-4-3-5-9-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide has a molecular weight of 330.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide is sourced from PubChem (CID 108984196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).