N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide

C13H19NO3 — CID 93033627

IUPACN-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
SMILESCC[C@H](CO)NC(=O)c1cccc(COC)c1
InChIInChI=1S/C13H19NO3/c1-3-12(8-15)14-13(16)11-6-4-5-10(7-11)9-17-2/h4-7,12,15H,3,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyIWRCLSYWEWNLKE-GFCCVEGCSA-N
MW237.30 g/mol
LogP1.33
Rot. Bonds6

About N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide

N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide (PubChem CID 93033627) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
PubChem CID93033627
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
SMILESCC[C@H](CO)NC(=O)c1cccc(COC)c1
InChIInChI=1S/C13H19NO3/c1-3-12(8-15)14-13(16)11-6-4-5-10(7-11)9-17-2/h4-7,12,15H,3,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyIWRCLSYWEWNLKE-GFCCVEGCSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
CID 104981700
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(methoxymethyl)benzamide
CID 103798708
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methoxymethyl)benzamide
CID 9470580
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide (CID 93033627) is N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide is CC[C@H](CO)NC(=O)c1cccc(COC)c1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide?
The InChIKey is IWRCLSYWEWNLKE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-12(8-15)14-13(16)11-6-4-5-10(7-11)9-17-2/h4-7,12,15H,3,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide?
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 93033627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).