3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide

C16H18N2O2 — CID 107861785

IUPAC3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
SMILESCc1cc(N)cc(C(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-11-7-13(9-14(17)8-11)16(20)18-15(10-19)12-5-3-2-4-6-12/h2-9,15,19H,10,17H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyCZLFJZWJGKJOSA-OAHLLOKOSA-N
MW270.33 g/mol
LogP2.04
Rot. Bonds4

About 3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide

3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide (PubChem CID 107861785) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
PubChem CID107861785
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
SMILESCc1cc(N)cc(C(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c1-11-7-13(9-14(17)8-11)16(20)18-15(10-19)12-5-3-2-4-6-12/h2-9,15,19H,10,17H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyCZLFJZWJGKJOSA-OAHLLOKOSA-N
XLogP2.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 110004090
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
3-amino-5-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzamide
CID 107861714
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184761
2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 107861769

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide?
The IUPAC name of 3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide (CID 107861785) is 3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide?
The canonical SMILES for 3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide is Cc1cc(N)cc(C(=O)N[C@H](CO)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide?
The InChIKey is CZLFJZWJGKJOSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-7-13(9-14(17)8-11)16(20)18-15(10-19)12-5-3-2-4-6-12/h2-9,15,19H,10,17H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide?
3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide is sourced from PubChem (CID 107861785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).