N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride

C23H33ClN2O2 — CID 17155994

IUPACN-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCCC(NCc1ccc(OCC(=O)NC(C)(C)C)cc1)c1ccccc1.Cl
InChIInChI=1S/C23H32N2O2.ClH/c1-5-9-21(19-10-7-6-8-11-19)24-16-18-12-14-20(15-13-18)27-17-22(26)25-23(2,3)4;/h6-8,10-15,21,24H,5,9,16-17H2,1-4H3,(H,25,26);1H
InChIKeyTUGNOXYUHDVINJ-UHFFFAOYSA-N
MW404.98 g/mol
LogP5.03
Rot. Bonds9

About N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride

N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17155994) has the molecular formula C23H33ClN2O2 and a molecular weight of 404.98 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID17155994
Molecular FormulaC23H33ClN2O2
Molecular Weight404.98 g/mol
Exact Mass404.22
IUPAC NameN-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCCC(NCc1ccc(OCC(=O)NC(C)(C)C)cc1)c1ccccc1.Cl
InChIInChI=1S/C23H32N2O2.ClH/c1-5-9-21(19-10-7-6-8-11-19)24-16-18-12-14-20(15-13-18)27-17-22(26)25-23(2,3)4;/h6-8,10-15,21,24H,5,9,16-17H2,1-4H3,(H,25,26);1H
InChIKeyTUGNOXYUHDVINJ-UHFFFAOYSA-N
XLogP5.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.98
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[2-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17156002
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 17156015
N-tert-butyl-3-(1-phenylbutylamino)propanamide
CID 115605323
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17215561
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
CID 17215562
[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium
CID 2214441
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17295535
N-tert-butyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152898

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride (CID 17155994) is N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride is CCCC(NCc1ccc(OCC(=O)NC(C)(C)C)cc1)c1ccccc1.Cl.
What is the InChIKey of N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is TUGNOXYUHDVINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.ClH/c1-5-9-21(19-10-7-6-8-11-19)24-16-18-12-14-20(15-13-18)27-17-22(26)25-23(2,3)4;/h6-8,10-15,21,24H,5,9,16-17H2,1-4H3,(H,25,26);1H.
What are the key properties of N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride?
N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 404.98 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[(1-phenylbutylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17155994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).