N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide

C24H32N2O4 — CID 172820270

IUPACN-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide
SMILESCOc1ccc([C@H](CN(C)Cc2ccc(C(=O)NO)cc2)C2(O)CCCCC2)cc1
InChIInChI=1S/C24H32N2O4/c1-26(16-18-6-8-20(9-7-18)23(27)25-29)17-22(24(28)14-4-3-5-15-24)19-10-12-21(30-2)13-11-19/h6-13,22,28-29H,3-5,14-17H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyUDCHPDHIQVEMRJ-QFIPXVFZSA-N
MW412.53 g/mol
LogP3.72
Rot. Bonds8

About N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide

N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide (PubChem CID 172820270) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide
PubChem CID172820270
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide
SMILESCOc1ccc([C@H](CN(C)Cc2ccc(C(=O)NO)cc2)C2(O)CCCCC2)cc1
InChIInChI=1S/C24H32N2O4/c1-26(16-18-6-8-20(9-7-18)23(27)25-29)17-22(24(28)14-4-3-5-15-24)19-10-12-21(30-2)13-11-19/h6-13,22,28-29H,3-5,14-17H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyUDCHPDHIQVEMRJ-QFIPXVFZSA-N
XLogP3.72
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;methane
CID 158593799
(E)-but-2-enedioic acid;[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methoxybenzoate
CID 71655996
1-[1-(4-methoxyphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
CID 59838669
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11202205
1-[(1R)-2-(dimethylamino)-1-[4-(trideuteriomethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 25225533
[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methylbenzoate;hydrochloride
CID 56955395
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methylbenzoate;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol;molecular hydrogen
CID 169430824
1-[2-dimethylarsanyl-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 87689305
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[1-(1-hydroxycyclohexyl)butyl]phenol;1-[1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 159437674
4-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;(E)-4-hydroperoxybut-2-enoic acid
CID 159662085
1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexan-1-ol;hydrochloride
CID 159239397

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide (CID 172820270) is N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide is COc1ccc([C@H](CN(C)Cc2ccc(C(=O)NO)cc2)C2(O)CCCCC2)cc1.
What is the InChIKey of N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide?
The InChIKey is UDCHPDHIQVEMRJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-26(16-18-6-8-20(9-7-18)23(27)25-29)17-22(24(28)14-4-3-5-15-24)19-10-12-21(30-2)13-11-19/h6-13,22,28-29H,3-5,14-17H2,1-2H3,(H,25,27)/t22-/m0/s1.
What are the key properties of N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide?
N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide has a molecular weight of 412.53 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[[(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 172820270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).