N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide

C18H30N4O3 — CID 111767695

IUPACN-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C18H30N4O3/c1-6-19-17(21-12-16(24)22-18(2,3)4)20-11-15(23)13-8-7-9-14(10-13)25-5/h7-10,15,23H,6,11-12H2,1-5H3,(H,22,24)(H2,19,20,21)
InChIKeyFOPOLQILHMGRHK-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.20
Rot. Bonds7

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

N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide (PubChem CID 111767695) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide
PubChem CID111767695
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C18H30N4O3/c1-6-19-17(21-12-16(24)22-18(2,3)4)20-11-15(23)13-8-7-9-14(10-13)25-5/h7-10,15,23H,6,11-12H2,1-5H3,(H,22,24)(H2,19,20,21)
InChIKeyFOPOLQILHMGRHK-UHFFFAOYSA-N
XLogP1.20
TPSA94.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.20
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'}

Analyze N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide 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

N-tert-butyl-2-[[[[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382591
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111985429
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111999466
N-tert-butyl-2-[[ethylamino-[2-(3-fluorophenoxy)butylamino]methylidene]amino]acetamide
CID 109475233
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111764612
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111999339
tert-butyl N-[2-[[N-ethyl-N'-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111999088
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111765803
N-tert-butyl-2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]acetamide
CID 111366781

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide (CID 111767695) is N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC(C)(C)C)NCC(O)c1cccc(OC)c1.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide?
The InChIKey is FOPOLQILHMGRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-6-19-17(21-12-16(24)22-18(2,3)4)20-11-15(23)13-8-7-9-14(10-13)25-5/h7-10,15,23H,6,11-12H2,1-5H3,(H,22,24)(H2,19,20,21).
What are the key properties of N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide?
N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide has a molecular weight of 350.46 g/mol, XLogP of 1.20, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methylidene]amino]acetamide is sourced from PubChem (CID 111767695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).