N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride

C19H32Cl2N2O3 — CID 2951353

IUPACN-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride
SMILESCCCCNCc1cc(Cl)c(OCC(=O)NC(C)(C)C)c(OCC)c1.Cl
InChIInChI=1S/C19H31ClN2O3.ClH/c1-6-8-9-21-12-14-10-15(20)18(16(11-14)24-7-2)25-13-17(23)22-19(3,4)5;/h10-11,21H,6-9,12-13H2,1-5H3,(H,22,23);1H
InChIKeyJWPYVVOBJZPIFU-UHFFFAOYSA-N
MW407.38 g/mol
LogP4.34
Rot. Bonds10

About N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride

N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride (PubChem CID 2951353) has the molecular formula C19H32Cl2N2O3 and a molecular weight of 407.38 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride
PubChem CID2951353
Molecular FormulaC19H32Cl2N2O3
Molecular Weight407.38 g/mol
Exact Mass406.18
IUPAC NameN-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride
SMILESCCCCNCc1cc(Cl)c(OCC(=O)NC(C)(C)C)c(OCC)c1.Cl
InChIInChI=1S/C19H31ClN2O3.ClH/c1-6-8-9-21-12-14-10-15(20)18(16(11-14)24-7-2)25-13-17(23)22-19(3,4)5;/h10-11,21H,6-9,12-13H2,1-5H3,(H,22,23);1H
InChIKeyJWPYVVOBJZPIFU-UHFFFAOYSA-N
XLogP4.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
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-(butylaminomethyl)-5-chloro-2-ethoxyphenoxy]acetamide
CID 66531408
N-tert-butyl-2-[2-chloro-6-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide
CID 19644670
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
N'-[(3-chloro-4,5-diethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215598
2-[2-chloro-6-ethoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4720831
N-tert-butyl-2-[2-ethoxy-4-[[3-(2-hydroxyethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17214182
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]pentan-1-amine
CID 29226512
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-1-amine;hydrochloride
CID 17289471
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]butan-1-amine;hydrochloride
CID 17289469
2-[3-[(3-chloro-4,5-diethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214206
2-[2-chloro-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetic acid
CID 102535900
N-tert-butyl-2-[4-[[3-(diethylamino)propylamino]methyl]-2-ethoxyphenoxy]acetamide;dihydrochloride
CID 17215098

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride (CID 2951353) is N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride is CCCCNCc1cc(Cl)c(OCC(=O)NC(C)(C)C)c(OCC)c1.Cl.
What is the InChIKey of N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride?
The InChIKey is JWPYVVOBJZPIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN2O3.ClH/c1-6-8-9-21-12-14-10-15(20)18(16(11-14)24-7-2)25-13-17(23)22-19(3,4)5;/h10-11,21H,6-9,12-13H2,1-5H3,(H,22,23);1H.
What are the key properties of N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride?
N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride has a molecular weight of 407.38 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(butylaminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide;hydrochloride is sourced from PubChem (CID 2951353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).