N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide

C20H28N2O2 — CID 124845202

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
SMILESCO[C@@H]1CCN(c2ccc(C(=O)NCCC3=CCCCC3)cc2)C1
InChIInChI=1S/C20H28N2O2/c1-24-19-12-14-22(15-19)18-9-7-17(8-10-18)20(23)21-13-11-16-5-3-2-4-6-16/h5,7-10,19H,2-4,6,11-15H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyHILHFAZYJFKEDN-LJQANCHMSA-N
MW328.46 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide (PubChem CID 124845202) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
PubChem CID124845202
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
SMILESCO[C@@H]1CCN(c2ccc(C(=O)NCCC3=CCCCC3)cc2)C1
InChIInChI=1S/C20H28N2O2/c1-24-19-12-14-22(15-19)18-9-7-17(8-10-18)20(23)21-13-11-16-5-3-2-4-6-16/h5,7-10,19H,2-4,6,11-15H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyHILHFAZYJFKEDN-LJQANCHMSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 99874395
4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
CID 99874398
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044848
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937865
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108984207
N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 91813629
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide (CID 124845202) is N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide is CO[C@@H]1CCN(c2ccc(C(=O)NCCC3=CCCCC3)cc2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide?
The InChIKey is HILHFAZYJFKEDN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-24-19-12-14-22(15-19)18-9-7-17(8-10-18)20(23)21-13-11-16-5-3-2-4-6-16/h5,7-10,19H,2-4,6,11-15H2,1H3,(H,21,23)/t19-/m1/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide has a molecular weight of 328.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide is sourced from PubChem (CID 124845202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).