3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide

C11H16N2O3 — CID 107211143

IUPAC3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)NC[C@H](C)O
InChIInChI=1S/C11H16N2O3/c1-7(14)6-13-11(15)8-4-3-5-9(12)10(8)16-2/h3-5,7,14H,6,12H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyKPRMOEZKNYVIPK-ZETCQYMHSA-N
MW224.26 g/mol
LogP0.39
Rot. Bonds4

About 3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide

3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide (PubChem CID 107211143) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
PubChem CID107211143
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)NC[C@H](C)O
InChIInChI=1S/C11H16N2O3/c1-7(14)6-13-11(15)8-4-3-5-9(12)10(8)16-2/h3-5,7,14H,6,12H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyKPRMOEZKNYVIPK-ZETCQYMHSA-N
XLogP0.39
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 107863863
3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide?
The IUPAC name of 3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide (CID 107211143) is 3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide?
The canonical SMILES for 3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide is COc1c(N)cccc1C(=O)NC[C@H](C)O.
What is the InChIKey of 3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide?
The InChIKey is KPRMOEZKNYVIPK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(14)6-13-11(15)8-4-3-5-9(12)10(8)16-2/h3-5,7,14H,6,12H2,1-2H3,(H,13,15)/t7-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide?
3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide has a molecular weight of 224.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide is sourced from PubChem (CID 107211143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).