N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide

C16H23NO3 — CID 107671574

IUPACN-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C16H23NO3/c1-12-11-14(19)7-8-15(12)16(20)17(9-10-18)13-5-3-2-4-6-13/h7-8,11,13,18-19H,2-6,9-10H2,1H3
InChIKeyYKPRWTBXTNHUMM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds4

About N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide

N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 107671574) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID107671574
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C16H23NO3/c1-12-11-14(19)7-8-15(12)16(20)17(9-10-18)13-5-3-2-4-6-13/h7-8,11,13,18-19H,2-6,9-10H2,1H3
InChIKeyYKPRWTBXTNHUMM-UHFFFAOYSA-N
XLogP2.47
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102685018
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547
N-cyclopentyl-2,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 54994498
N-cyclopentyl-N-ethyl-4-hydroxy-2-methylbenzamide
CID 113341129
2-chloro-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 106501618
2-amino-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 107074484
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide
CID 106509715
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
4-bromo-N-(2-bromoethyl)-N-cyclohexyl-2-methylbenzamide
CID 80658918
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide (CID 107671574) is N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1cc(O)ccc1C(=O)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is YKPRWTBXTNHUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-11-14(19)7-8-15(12)16(20)17(9-10-18)13-5-3-2-4-6-13/h7-8,11,13,18-19H,2-6,9-10H2,1H3.
What are the key properties of N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide?
N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 107671574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).