N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide

C15H25N3O2 — CID 13207804

IUPACN'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide
SMILESCC(C)NCC(O)CO/N=C(\N)C(C)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-11(2)17-9-14(19)10-20-18-15(16)12(3)13-7-5-4-6-8-13/h4-8,11-12,14,17,19H,9-10H2,1-3H3,(H2,16,18)
InChIKeyRBTZFZRZIRFPCD-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.44
Rot. Bonds8

About N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide

N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide (PubChem CID 13207804) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide
PubChem CID13207804
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide
SMILESCC(C)NCC(O)CO/N=C(\N)C(C)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-11(2)17-9-14(19)10-20-18-15(16)12(3)13-7-5-4-6-8-13/h4-8,11-12,14,17,19H,9-10H2,1-3H3,(H2,16,18)
InChIKeyRBTZFZRZIRFPCD-UHFFFAOYSA-N
XLogP1.44
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 45262616
1-[(E)-benzylideneamino]oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 12380442
1-[(E)-1-phenylethylideneamino]oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 12380445
1-(tert-butylamino)-3-[(E)-1-phenylethylideneamino]oxypropan-2-ol;hydrochloride
CID 12380447
N'-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 18766198
N'-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 73462279
1-[(E)-benzylideneamino]oxy-3-(propan-2-ylamino)propan-2-ol
CID 10444131
1-[(E)-1-phenylethylideneamino]oxy-3-(propan-2-ylamino)propan-2-ol
CID 12380444
1-(tert-butylamino)-3-[(E)-1-phenylethylideneamino]oxypropan-2-ol
CID 12380446
1-(Benzhydrylideneamino)oxy-3-(propan-2-ylamino)propan-2-ol
CID 12380464
1-(tert-butylamino)-3-[(E)-1-(4-methylphenyl)ethylideneamino]oxypropan-2-ol
CID 12380508
1-(tert-butylamino)-3-[(E)-1-(4-ethylphenyl)ethylideneamino]oxypropan-2-ol
CID 12380518

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide?
The IUPAC name of N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide (CID 13207804) is N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide.
What is the SMILES notation for N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide?
The canonical SMILES for N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide is CC(C)NCC(O)CO/N=C(\N)C(C)c1ccccc1.
What is the InChIKey of N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide?
The InChIKey is RBTZFZRZIRFPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)17-9-14(19)10-20-18-15(16)12(3)13-7-5-4-6-8-13/h4-8,11-12,14,17,19H,9-10H2,1-3H3,(H2,16,18).
What are the key properties of N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide?
N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide has a molecular weight of 279.38 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenylpropanimidamide is sourced from PubChem (CID 13207804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).