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

C19H33ClIN5O — CID 111755378

IUPACN-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(c1ccc(Cl)cc1)N(C)C.I
InChIInChI=1S/C19H32ClN5O.HI/c1-7-21-18(23-13-17(26)24-19(2,3)4)22-12-16(25(5)6)14-8-10-15(20)11-9-14;/h8-11,16H,7,12-13H2,1-6H3,(H,24,26)(H2,21,22,23);1H
InChIKeyXVLQIEWULRYHDW-UHFFFAOYSA-N
MW509.86 g/mol
LogP3.03
Rot. Bonds7

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

N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 111755378) has the molecular formula C19H33ClIN5O and a molecular weight of 509.86 g/mol. Its IUPAC name is N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID111755378
Molecular FormulaC19H33ClIN5O
Molecular Weight509.86 g/mol
Exact Mass509.14
IUPAC NameN-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NCC(c1ccc(Cl)cc1)N(C)C.I
InChIInChI=1S/C19H32ClN5O.HI/c1-7-21-18(23-13-17(26)24-19(2,3)4)22-12-16(25(5)6)14-8-10-15(20)11-9-14;/h8-11,16H,7,12-13H2,1-6H3,(H,24,26)(H2,21,22,23);1H
InChIKeyXVLQIEWULRYHDW-UHFFFAOYSA-N
XLogP3.03
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.86
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-tert-butyl-2-[[[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382557
N-tert-butyl-2-[[[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111797329
N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111385487
N-tert-butyl-2-[[[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111797332
N-tert-butyl-2-[[[[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111382591
2-[[[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365522
N-tert-butyl-2-[[[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111385906
N-tert-butyl-2-[[[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111383632
2-[[[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364759
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111987258
N-tert-butyl-2-[[[[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111385492
N-tert-butyl-2-[[ethylamino-[2-[methyl(propan-2-yl)amino]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111384760

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide (CID 111755378) is N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC(C)(C)C)NCC(c1ccc(Cl)cc1)N(C)C.I.
What is the InChIKey of N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is XVLQIEWULRYHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN5O.HI/c1-7-21-18(23-13-17(26)24-19(2,3)4)22-12-16(25(5)6)14-8-10-15(20)11-9-14;/h8-11,16H,7,12-13H2,1-6H3,(H,24,26)(H2,21,22,23);1H.
What are the key properties of N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide?
N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 509.86 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111755378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).