N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide

C24H34N4O2 — CID 111518749

IUPACN-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H34N4O2/c1-5-25-22(26-17-21(29)28-23(2,3)4)27-18-24(30,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,30H,5,16-18H2,1-4H3,(H,28,29)(H2,25,26,27)
InChIKeyUEURRZXCVPHNQX-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.59
Rot. Bonds8

About N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide

N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide (PubChem CID 111518749) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide
PubChem CID111518749
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H34N4O2/c1-5-25-22(26-17-21(29)28-23(2,3)4)27-18-24(30,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,30H,5,16-18H2,1-4H3,(H,28,29)(H2,25,26,27)
InChIKeyUEURRZXCVPHNQX-UHFFFAOYSA-N
XLogP2.59
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]acetamide
CID 111383766
1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine
CID 111491490
2-[[(3-anilinopropylamino)-(ethylamino)methylidene]amino]-N-tert-butylacetamide
CID 111383862
N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide
CID 111171748
N-[(2S)-2-hydroxy-2,3-diphenylpropyl]acetamide
CID 95987019
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine
CID 109428631
N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109418197
N-tert-butyl-2-[[ethylamino-[2-(3-methylphenyl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111382924
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
N-tert-butyl-2-[[ethylamino-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamino]methylidene]amino]acetamide
CID 111385910
N-tert-butyl-2-[[ethylamino-[[1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]methylidene]amino]acetamide
CID 111383822

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide (CID 111518749) is N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCC(O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide?
The InChIKey is UEURRZXCVPHNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-5-25-22(26-17-21(29)28-23(2,3)4)27-18-24(30,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,30H,5,16-18H2,1-4H3,(H,28,29)(H2,25,26,27).
What are the key properties of N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide?
N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide has a molecular weight of 410.56 g/mol, XLogP of 2.59, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 111518749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).