N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C20H28N2O2 — CID 163343249

IUPACN-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H28N2O2/c1-15(2)18(22-19(23)17-11-7-4-8-12-17)20(24)21-14-13-16-9-5-3-6-10-16/h4,7-9,11-12,15,18H,3,5-6,10,13-14H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyHRWKFVVPDHIDPN-GOSISDBHSA-N
MW328.46 g/mol
LogP3.45
Rot. Bonds7

About N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 163343249) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID163343249
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H28N2O2/c1-15(2)18(22-19(23)17-11-7-4-8-12-17)20(24)21-14-13-16-9-5-3-6-10-16/h4,7-9,11-12,15,18H,3,5-6,10,13-14H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyHRWKFVVPDHIDPN-GOSISDBHSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 24540008
N-[1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55329551
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
N-[1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 24540011
N-[2-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111208397
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
CID 909201
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 7211569
N-[1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 73400899
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
(2R)-2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8596856
methyl 2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoate
CID 3551359
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 163343249) is N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is HRWKFVVPDHIDPN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15(2)18(22-19(23)17-11-7-4-8-12-17)20(24)21-14-13-16-9-5-3-6-10-16/h4,7-9,11-12,15,18H,3,5-6,10,13-14H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 328.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 163343249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).