N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide

C15H23NO3 — CID 103771486

IUPACN-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(O)CC(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)8-13(17)9-16-15(18)14-7-5-4-6-12(14)10-19-3/h4-7,11,13,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyIRLSEWFWNLAOFF-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.97
Rot. Bonds7

About N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide

N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide (PubChem CID 103771486) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
PubChem CID103771486
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(O)CC(C)C
InChIInChI=1S/C15H23NO3/c1-11(2)8-13(17)9-16-15(18)14-7-5-4-6-12(14)10-19-3/h4-7,11,13,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyIRLSEWFWNLAOFF-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
CID 113258914
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
N,2-bis(methoxymethyl)benzamide
CID 91153220
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
CID 103819096
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(methoxymethyl)benzamide
CID 51095630
N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
CID 103819903
N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103862006
N-(2-hydroxy-4-methylpentyl)-2-methoxy-3-nitrobenzamide
CID 107155337
2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 121289726
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methoxymethyl)benzamide
CID 36886538
N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide (CID 103771486) is N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)NCC(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide?
The InChIKey is IRLSEWFWNLAOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)8-13(17)9-16-15(18)14-7-5-4-6-12(14)10-19-3/h4-7,11,13,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide?
N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide is sourced from PubChem (CID 103771486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).