N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide

C11H15NO3 — CID 40653428

IUPACN-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@H](O)CO)c1
InChIInChI=1S/C11H15NO3/c1-8-3-2-4-9(5-8)11(15)12-6-10(14)7-13/h2-5,10,13-14H,6-7H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyRUOUWEBNJHZFMN-JTQLQIEISA-N
MW209.25 g/mol
LogP0.08
Rot. Bonds4

About N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide

N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide (PubChem CID 40653428) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
PubChem CID40653428
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@H](O)CO)c1
InChIInChI=1S/C11H15NO3/c1-8-3-2-4-9(5-8)11(15)12-6-10(14)7-13/h2-5,10,13-14H,6-7H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyRUOUWEBNJHZFMN-JTQLQIEISA-N
XLogP0.08
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
CID 172511882
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
N-(2-amino-3-ethylpentyl)-3-methylbenzamide
CID 106286438
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide (CID 40653428) is N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide is Cc1cccc(C(=O)NC[C@H](O)CO)c1.
What is the InChIKey of N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide?
The InChIKey is RUOUWEBNJHZFMN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-3-2-4-9(5-8)11(15)12-6-10(14)7-13/h2-5,10,13-14H,6-7H2,1H3,(H,12,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide?
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide has a molecular weight of 209.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide is sourced from PubChem (CID 40653428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).