N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide

C14H21NO3 — CID 79247451

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C14H21NO3/c1-10(2)13(8-16)15-14(17)12-7-5-4-6-11(12)9-18-3/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyGJXIBPNOBQCKAK-CYBMUJFWSA-N
MW251.33 g/mol
LogP1.58
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide (PubChem CID 79247451) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide
PubChem CID79247451
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C14H21NO3/c1-10(2)13(8-16)15-14(17)12-7-5-4-6-11(12)9-18-3/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyGJXIBPNOBQCKAK-CYBMUJFWSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]propanoate
CID 43623509
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N,2-bis(methoxymethyl)benzamide
CID 91153220
4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid
CID 61243092
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide
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N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
CID 113258914
N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103862006
2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide
CID 75498984
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(methoxymethyl)benzamide
CID 95298041
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide (CID 79247451) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide?
The InChIKey is GJXIBPNOBQCKAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)13(8-16)15-14(17)12-7-5-4-6-11(12)9-18-3/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 79247451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).