N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide

C21H35ClIN5O2 — CID 111385487

IUPACN-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(c1ccc(Cl)cc1)N1CCOCC1.I
InChIInChI=1S/C21H34ClN5O2.HI/c1-5-23-20(25-15-19(28)26-21(2,3)4)24-14-18(27-10-12-29-13-11-27)16-6-8-17(22)9-7-16;/h6-9,18H,5,10-15H2,1-4H3,(H,26,28)(H2,23,24,25);1H
InChIKeyONTFIRSVKOCRJN-UHFFFAOYSA-N
MW551.90 g/mol
LogP2.80
Rot. Bonds7

About N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide

N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 111385487) has the molecular formula C21H35ClIN5O2 and a molecular weight of 551.90 g/mol. Its IUPAC name is N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID111385487
Molecular FormulaC21H35ClIN5O2
Molecular Weight551.90 g/mol
Exact Mass551.15
IUPAC NameN-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(c1ccc(Cl)cc1)N1CCOCC1.I
InChIInChI=1S/C21H34ClN5O2.HI/c1-5-23-20(25-15-19(28)26-21(2,3)4)24-14-18(27-10-12-29-13-11-27)16-6-8-17(22)9-7-16;/h6-9,18H,5,10-15H2,1-4H3,(H,26,28)(H2,23,24,25);1H
InChIKeyONTFIRSVKOCRJN-UHFFFAOYSA-N
XLogP2.80
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.90
LogP ≤ 52.80
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': 'iodine', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide 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-[[ethylamino-[(2-morpholin-4-yl-2-phenylethyl)amino]methylidene]amino]acetamide
CID 111383227
2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365881
N-ethyl-2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]acetamide;hydroiodide
CID 111309369
N-tert-butyl-2-[[[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111383632
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111021502
N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111755378
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N-propylacetamide
CID 111309840
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125
N-tert-butyl-2-[[[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111385906
2-[[ethylamino-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111309755
1-tert-butyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 110965014

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide (CID 111385487) is N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC(C)(C)C)NCC(c1ccc(Cl)cc1)N1CCOCC1.I.
What is the InChIKey of N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is ONTFIRSVKOCRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34ClN5O2.HI/c1-5-23-20(25-15-19(28)26-21(2,3)4)24-14-18(27-10-12-29-13-11-27)16-6-8-17(22)9-7-16;/h6-9,18H,5,10-15H2,1-4H3,(H,26,28)(H2,23,24,25);1H.
What are the key properties of N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 551.90 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111385487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).