N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide

C19H28N2O2 — CID 24867158

IUPACN-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide
SMILESCN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H28N2O2/c1-21(2)13-16-7-3-4-11-19(16,23)15-8-5-6-14(12-15)18(22)20-17-9-10-17/h5-6,8,12,16-17,23H,3-4,7,9-11,13H2,1-2H3,(H,20,22)/t16-,19+/m1/s1
InChIKeyWYESOIFZAVZEHK-APWZRJJASA-N
MW316.44 g/mol
LogP2.52
Rot. Bonds5

About N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide

N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide (PubChem CID 24867158) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide
PubChem CID24867158
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide
SMILESCN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H28N2O2/c1-21(2)13-16-7-3-4-11-19(16,23)15-8-5-6-14(12-15)18(22)20-17-9-10-17/h5-6,8,12,16-17,23H,3-4,7,9-11,13H2,1-2H3,(H,20,22)/t16-,19+/m1/s1
InChIKeyWYESOIFZAVZEHK-APWZRJJASA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide
CID 11572860
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
N-[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl]-3-nitrobenzamide
CID 10180909
[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl] 2-hydroxybenzoate;hydrochloride
CID 76966629
cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol
CID 25182362
bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl] 2-[1-(acetamidomethyl)cyclohexyl]acetate
CID 54588045
[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl] 2-hydroxy-4-methoxybenzoate
CID 10294357
cis-(1R,2R)-1-[3-chloro-4-(dimethylamino)phenyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 134354580
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
CID 110279269

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide (CID 24867158) is N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide is CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide?
The InChIKey is WYESOIFZAVZEHK-APWZRJJASA-N. The full InChI is InChI=1S/C19H28N2O2/c1-21(2)13-16-7-3-4-11-19(16,23)15-8-5-6-14(12-15)18(22)20-17-9-10-17/h5-6,8,12,16-17,23H,3-4,7,9-11,13H2,1-2H3,(H,20,22)/t16-,19+/m1/s1.
What are the key properties of N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide?
N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide has a molecular weight of 316.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 24867158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).