N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide

C19H33IN4O — CID 111171748

IUPACN-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NC(C)CCc1ccccc1.I
InChIInChI=1S/C19H32N4O.HI/c1-6-20-18(21-14-17(24)23-19(3,4)5)22-15(2)12-13-16-10-8-7-9-11-16;/h7-11,15H,6,12-14H2,1-5H3,(H,23,24)(H2,20,21,22);1H
InChIKeyQMSUPZWYJKMVLK-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.10
Rot. Bonds7

About N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide

N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 111171748) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID111171748
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC NameN-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC(C)(C)C)NC(C)CCc1ccccc1.I
InChIInChI=1S/C19H32N4O.HI/c1-6-20-18(21-14-17(24)23-19(3,4)5)22-15(2)12-13-16-10-8-7-9-11-16;/h7-11,15H,6,12-14H2,1-5H3,(H,23,24)(H2,20,21,22);1H
InChIKeyQMSUPZWYJKMVLK-UHFFFAOYSA-N
XLogP3.10
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-benzyl-2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]acetamide
CID 111383766
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111001469
2-(2,2-dimethyl-4-methylsulfonylbutyl)-1-ethyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111772739
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111171873
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172208
2-(2,2-dimethyl-4-methylsulfonylbutyl)-1-ethyl-3-(4-phenylbutan-2-yl)guanidine
CID 111772740
N-tert-butyl-2-[[ethylamino-[[1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]methylidene]amino]acetamide
CID 111383822
2-(2,2-diethyl-4-hydroxybutyl)-1-ethyl-3-(4-phenylbutan-2-yl)guanidine
CID 111789846
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
N-tert-butyl-2-[[ethylamino-[2-(3-methylphenyl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111382924
N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide
CID 111518749
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172842

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide (CID 111171748) is N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC(C)(C)C)NC(C)CCc1ccccc1.I.
What is the InChIKey of N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is QMSUPZWYJKMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-6-20-18(21-14-17(24)23-19(3,4)5)22-15(2)12-13-16-10-8-7-9-11-16;/h7-11,15H,6,12-14H2,1-5H3,(H,23,24)(H2,20,21,22);1H.
What are the key properties of N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide?
N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[ethylamino-(4-phenylbutan-2-ylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111171748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).