1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine

C26H31N3O — CID 10811065

IUPAC1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine
SMILESC[C@H](/N=C(\N[C@H](CO)Cc1ccccc1)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31N3O/c1-20(23-14-8-4-9-15-23)27-26(28-21(2)24-16-10-5-11-17-24)29-25(19-30)18-22-12-6-3-7-13-22/h3-17,20-21,25,30H,18-19H2,1-2H3,(H2,27,28,29)/t20-,21-,25-/m0/s1
InChIKeyIKUAFPHCBXXVNP-WATLYSKOSA-N
MW401.55 g/mol
LogP4.65
Rot. Bonds8

About 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine (PubChem CID 10811065) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine
PubChem CID10811065
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine
SMILESC[C@H](/N=C(\N[C@H](CO)Cc1ccccc1)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31N3O/c1-20(23-14-8-4-9-15-23)27-26(28-21(2)24-16-10-5-11-17-24)29-25(19-30)18-22-12-6-3-7-13-22/h3-17,20-21,25,30H,18-19H2,1-2H3,(H2,27,28,29)/t20-,21-,25-/m0/s1
InChIKeyIKUAFPHCBXXVNP-WATLYSKOSA-N
XLogP4.65
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-tris[(1S)-1-phenylethyl]guanidine
CID 101384426
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
CID 3756499
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine?
The IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine (CID 10811065) is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine.
What is the SMILES notation for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine?
The canonical SMILES for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine is C[C@H](/N=C(\N[C@H](CO)Cc1ccccc1)N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine?
The InChIKey is IKUAFPHCBXXVNP-WATLYSKOSA-N. The full InChI is InChI=1S/C26H31N3O/c1-20(23-14-8-4-9-15-23)27-26(28-21(2)24-16-10-5-11-17-24)29-25(19-30)18-22-12-6-3-7-13-22/h3-17,20-21,25,30H,18-19H2,1-2H3,(H2,27,28,29)/t20-,21-,25-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine?
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine has a molecular weight of 401.55 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,3-bis[(1S)-1-phenylethyl]guanidine is sourced from PubChem (CID 10811065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).