4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide

C21H30N2O2 — CID 68836947

IUPAC4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide
SMILESCC1(C)CC=C(c2cc(C3(CN)CCOCC3)ccc2C(N)=O)CC1
InChIInChI=1S/C21H30N2O2/c1-20(2)7-5-15(6-8-20)18-13-16(3-4-17(18)19(23)24)21(14-22)9-11-25-12-10-21/h3-5,13H,6-12,14,22H2,1-2H3,(H2,23,24)
InChIKeyOYFIDDSYHWSYNT-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.39
Rot. Bonds4

About 4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide

4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide (PubChem CID 68836947) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide
PubChem CID68836947
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide
SMILESCC1(C)CC=C(c2cc(C3(CN)CCOCC3)ccc2C(N)=O)CC1
InChIInChI=1S/C21H30N2O2/c1-20(2)7-5-15(6-8-20)18-13-16(3-4-17(18)19(23)24)21(14-22)9-11-25-12-10-21/h3-5,13H,6-12,14,22H2,1-2H3,(H2,23,24)
InChIKeyOYFIDDSYHWSYNT-UHFFFAOYSA-N
XLogP3.39
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)aniline
CID 69453328
2-(4,4-dimethylcyclohexen-1-yl)benzamide
CID 68507659
4-[1,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide
CID 68732988
2-(4,4-dimethylcyclohexen-1-yl)-4-[4-[(2-methoxyethylamino)methyl]oxan-4-yl]aniline
CID 69451809
[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
CID 2852629
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 143568092
2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide
CID 69007813
4-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]oxan-4-ol
CID 141193162
1-[2-amino-4-[4-amino-3-(4,4-dimethylcyclohexen-1-yl)phenyl]-2,4-dimethylpiperidin-1-yl]ethanone
CID 159642761
4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]oxane-4-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]oxane-4-carboxylic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2H-tetrazol-5-yl)oxan-4-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
CID 159126816
[4-(4-nitrophenyl)oxan-4-yl]methanamine
CID 16641709
[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine
CID 18525387

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide?
The IUPAC name of 4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide (CID 68836947) is 4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide.
What is the SMILES notation for 4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide?
The canonical SMILES for 4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide is CC1(C)CC=C(c2cc(C3(CN)CCOCC3)ccc2C(N)=O)CC1.
What is the InChIKey of 4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide?
The InChIKey is OYFIDDSYHWSYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-20(2)7-5-15(6-8-20)18-13-16(3-4-17(18)19(23)24)21(14-22)9-11-25-12-10-21/h3-5,13H,6-12,14,22H2,1-2H3,(H2,23,24).
What are the key properties of 4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide?
4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide has a molecular weight of 342.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)benzamide is sourced from PubChem (CID 68836947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).