2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide

C15H24N4O2 — CID 115356452

IUPAC2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC(C/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)18-14(20)10-17-12(9-13(16)19-21)11-7-5-4-6-8-11/h4-8,12,17,21H,9-10H2,1-3H3,(H2,16,19)(H,18,20)
InChIKeyCTKJWRJUJFMFOS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.37
Rot. Bonds6

About 2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide

2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide (PubChem CID 115356452) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide
PubChem CID115356452
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNC(C/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)18-14(20)10-17-12(9-13(16)19-21)11-7-5-4-6-8-11/h4-8,12,17,21H,9-10H2,1-3H3,(H2,16,19)(H,18,20)
InChIKeyCTKJWRJUJFMFOS-UHFFFAOYSA-N
XLogP1.37
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.37
H-Bond Donors ≤ 54
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
CID 106237568
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide
CID 106293122
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide
CID 106350283
N'-hydroxy-3-(pent-4-ynylamino)-3-phenylpropanimidamide
CID 106222316
(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid
CID 28785757
N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide
CID 77028172
3-(2-chloro-6-methylanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77120050

Frequently Asked Questions

What is the IUPAC name of 2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide (CID 115356452) is 2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNC(C/C(N)=N/O)c1ccccc1.
What is the InChIKey of 2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide?
The InChIKey is CTKJWRJUJFMFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)18-14(20)10-17-12(9-13(16)19-21)11-7-5-4-6-8-11/h4-8,12,17,21H,9-10H2,1-3H3,(H2,16,19)(H,18,20).
What are the key properties of 2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide?
2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 115356452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).