N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide

C23H28N2O2 — CID 118765933

IUPACN-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide
SMILESCC(NC(=O)c1cccc(-c2cncc(C(C)(C)O)c2)c1)C1=CCCCC1
InChIInChI=1S/C23H28N2O2/c1-16(17-8-5-4-6-9-17)25-22(26)19-11-7-10-18(12-19)20-13-21(15-24-14-20)23(2,3)27/h7-8,10-16,27H,4-6,9H2,1-3H3,(H,25,26)
InChIKeyTWNYFJFVDQMNRZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.59
Rot. Bonds5

About N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide

N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide (PubChem CID 118765933) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide
PubChem CID118765933
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide
SMILESCC(NC(=O)c1cccc(-c2cncc(C(C)(C)O)c2)c1)C1=CCCCC1
InChIInChI=1S/C23H28N2O2/c1-16(17-8-5-4-6-9-17)25-22(26)19-11-7-10-18(12-19)20-13-21(15-24-14-20)23(2,3)27/h7-8,10-16,27H,4-6,9H2,1-3H3,(H,25,26)
InChIKeyTWNYFJFVDQMNRZ-UHFFFAOYSA-N
XLogP4.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.59
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

2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide
CID 126454314
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide
CID 125445203
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 126439353
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131912358
5-(3-methylphenyl)-N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 99776990
5-(3-methylphenyl)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 99776989
5-(3-methylphenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 86814689
5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 97194553

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide?
The IUPAC name of N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide (CID 118765933) is N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide?
The canonical SMILES for N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide is CC(NC(=O)c1cccc(-c2cncc(C(C)(C)O)c2)c1)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide?
The InChIKey is TWNYFJFVDQMNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(17-8-5-4-6-9-17)25-22(26)19-11-7-10-18(12-19)20-13-21(15-24-14-20)23(2,3)27/h7-8,10-16,27H,4-6,9H2,1-3H3,(H,25,26).
What are the key properties of N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide?
N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 118765933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).