N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride

C18H33Cl2N3O2 — CID 17215561

IUPACN-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
SMILESCCNCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1.Cl.Cl
InChIInChI=1S/C18H31N3O2.2ClH/c1-5-19-11-6-12-20-13-15-7-9-16(10-8-15)23-14-17(22)21-18(2,3)4;;/h7-10,19-20H,5-6,11-14H2,1-4H3,(H,21,22);2*1H
InChIKeyZNYUHHGLUJKWBE-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.91
Rot. Bonds10

About N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride

N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride (PubChem CID 17215561) has the molecular formula C18H33Cl2N3O2 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
PubChem CID17215561
Molecular FormulaC18H33Cl2N3O2
Molecular Weight394.39 g/mol
Exact Mass393.19
IUPAC NameN-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
SMILESCCNCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1.Cl.Cl
InChIInChI=1S/C18H31N3O2.2ClH/c1-5-19-11-6-12-20-13-15-7-9-16(10-8-15)23-14-17(22)21-18(2,3)4;;/h7-10,19-20H,5-6,11-14H2,1-4H3,(H,21,22);2*1H
InChIKeyZNYUHHGLUJKWBE-UHFFFAOYSA-N
XLogP2.91
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
CID 17215562
N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17295535
N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide
CID 17208957
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
CID 61486165
N-tert-butyl-2-[2-methoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4721018
N-tert-butyl-2-[2-ethoxy-4-[[3-(2-hydroxyethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17214182
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
CID 66525538
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
2-[4-[[3-(methylamino)propylamino]methyl]phenoxy]acetic acid
CID 102535651
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride?
The IUPAC name of N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride (CID 17215561) is N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride.
What is the SMILES notation for N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride?
The canonical SMILES for N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride is CCNCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1.Cl.Cl.
What is the InChIKey of N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride?
The InChIKey is ZNYUHHGLUJKWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2.2ClH/c1-5-19-11-6-12-20-13-15-7-9-16(10-8-15)23-14-17(22)21-18(2,3)4;;/h7-10,19-20H,5-6,11-14H2,1-4H3,(H,21,22);2*1H.
What are the key properties of N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride?
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride has a molecular weight of 394.39 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride is sourced from PubChem (CID 17215561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).