2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C15H17N3O2 — CID 107861769

IUPAC2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ccc(C(=O)N[C@H](CO)c2ccccc2)c(N)c1
InChIInChI=1S/C15H17N3O2/c16-11-6-7-12(13(17)8-11)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9,16-17H2,(H,18,20)/t14-/m1/s1
InChIKeyZJMOAFAQSUUDJJ-CQSZACIVSA-N
MW271.32 g/mol
LogP1.31
Rot. Bonds4

About 2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 107861769) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID107861769
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ccc(C(=O)N[C@H](CO)c2ccccc2)c(N)c1
InChIInChI=1S/C15H17N3O2/c16-11-6-7-12(13(17)8-11)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9,16-17H2,(H,18,20)/t14-/m1/s1
InChIKeyZJMOAFAQSUUDJJ-CQSZACIVSA-N
XLogP1.31
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide
CID 10044629
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
3-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methylbenzamide
CID 107861785

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 107861769) is 2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Nc1ccc(C(=O)N[C@H](CO)c2ccccc2)c(N)c1.
What is the InChIKey of 2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is ZJMOAFAQSUUDJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-11-6-7-12(13(17)8-11)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9,16-17H2,(H,18,20)/t14-/m1/s1.
What are the key properties of 2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 107861769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).