4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide

C15H18N2O3 — CID 119136035

IUPAC4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide
SMILESNC(=O)COc1ccc(C(=O)NC2CC=CCC2)cc1
InChIInChI=1S/C15H18N2O3/c16-14(18)10-20-13-8-6-11(7-9-13)15(19)17-12-4-2-1-3-5-12/h1-2,6-9,12H,3-5,10H2,(H2,16,18)(H,17,19)
InChIKeyOUMKKOVJPLCOJI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.39
Rot. Bonds5

About 4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide

4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide (PubChem CID 119136035) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide
PubChem CID119136035
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide
SMILESNC(=O)COc1ccc(C(=O)NC2CC=CCC2)cc1
InChIInChI=1S/C15H18N2O3/c16-14(18)10-20-13-8-6-11(7-9-13)15(19)17-12-4-2-1-3-5-12/h1-2,6-9,12H,3-5,10H2,(H2,16,18)(H,17,19)
InChIKeyOUMKKOVJPLCOJI-UHFFFAOYSA-N
XLogP1.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide
CID 113277885
4-(2-amino-2-oxoethoxy)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 78851563
2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
CID 62697830
4-(2-amino-2-oxoethoxy)-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 119132601
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534239
N-cyclopentyl-4-[2-(ethylcarbamoylamino)-2-oxoethoxy]benzamide
CID 51100623
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534238
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide (CID 119136035) is 4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide is NC(=O)COc1ccc(C(=O)NC2CC=CCC2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide?
The InChIKey is OUMKKOVJPLCOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-14(18)10-20-13-8-6-11(7-9-13)15(19)17-12-4-2-1-3-5-12/h1-2,6-9,12H,3-5,10H2,(H2,16,18)(H,17,19).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide?
4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-cyclohex-3-en-1-ylbenzamide is sourced from PubChem (CID 119136035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).