N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide

C17H25NO4 — CID 90498790

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(O)C2CCCCC2)c1
InChIInChI=1S/C17H25NO4/c1-21-14-8-13(9-15(10-14)22-2)17(20)18-11-16(19)12-6-4-3-5-7-12/h8-10,12,16,19H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyYKPUSEJRIXZCRF-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.37
Rot. Bonds6

About N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide

N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide (PubChem CID 90498790) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
PubChem CID90498790
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(O)C2CCCCC2)c1
InChIInChI=1S/C17H25NO4/c1-21-14-8-13(9-15(10-14)22-2)17(20)18-11-16(19)12-6-4-3-5-7-12/h8-10,12,16,19H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyYKPUSEJRIXZCRF-UHFFFAOYSA-N
XLogP2.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
CID 63294592
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(3-methoxyphenoxy)acetamide
CID 95983036
3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97218721
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
CID 90498765
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide
CID 111425871

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide (CID 90498790) is N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(O)C2CCCCC2)c1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide?
The InChIKey is YKPUSEJRIXZCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-21-14-8-13(9-15(10-14)22-2)17(20)18-11-16(19)12-6-4-3-5-7-12/h8-10,12,16,19H,3-7,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide?
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide has a molecular weight of 307.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 90498790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).