N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide

C19H32ClN3O3 — CID 66537655

IUPACN-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide
SMILESCCOc1cc(CNCCN(C)C)c(Cl)cc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C19H32ClN3O3/c1-7-25-16-10-14(12-21-8-9-23(5)6)15(20)11-17(16)26-13-18(24)22-19(2,3)4/h10-11,21H,7-9,12-13H2,1-6H3,(H,22,24)
InChIKeyQBTLGLJGDDRTDT-UHFFFAOYSA-N
MW385.94 g/mol
LogP2.68
Rot. Bonds10

About N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide

N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide (PubChem CID 66537655) has the molecular formula C19H32ClN3O3 and a molecular weight of 385.94 g/mol. Its IUPAC name is N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide
PubChem CID66537655
Molecular FormulaC19H32ClN3O3
Molecular Weight385.94 g/mol
Exact Mass385.21
IUPAC NameN-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide
SMILESCCOc1cc(CNCCN(C)C)c(Cl)cc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C19H32ClN3O3/c1-7-25-16-10-14(12-21-8-9-23(5)6)15(20)11-17(16)26-13-18(24)22-19(2,3)4/h10-11,21H,7-9,12-13H2,1-6H3,(H,22,24)
InChIKeyQBTLGLJGDDRTDT-UHFFFAOYSA-N
XLogP2.68
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-[[4-[2-(tert-butylamino)-2-oxoethoxy]-2-chloro-5-ethoxyphenyl]methylamino]acetic acid
CID 66531363
N-tert-butyl-2-[4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide
CID 4721024
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 66531420
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(2-pyridin-2-yloxyethylamino)methyl]phenoxy]acetamide
CID 66531361
N-tert-butyl-2-[5-chloro-2-methoxy-4-[(octylamino)methyl]phenoxy]acetamide
CID 66529702
N-tert-butyl-2-[5-chloro-2-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 66529803
N-tert-butyl-2-[5-chloro-2-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 66531427
2-[4-[(2-adamantylamino)methyl]-5-chloro-2-ethoxyphenoxy]-N-tert-butylacetamide
CID 66531389
N-tert-butyl-2-[4-[(tert-butylamino)methyl]-5-chloro-2-methoxyphenoxy]acetamide
CID 66529720
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-2-chloro-5-ethoxyphenyl]methylamino]-2-chlorobenzoic acid
CID 66540843
N-tert-butyl-2-[5-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
CID 66529776

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide (CID 66537655) is N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide is CCOc1cc(CNCCN(C)C)c(Cl)cc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide?
The InChIKey is QBTLGLJGDDRTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN3O3/c1-7-25-16-10-14(12-21-8-9-23(5)6)15(20)11-17(16)26-13-18(24)22-19(2,3)4/h10-11,21H,7-9,12-13H2,1-6H3,(H,22,24).
What are the key properties of N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide?
N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide has a molecular weight of 385.94 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-chloro-4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide is sourced from PubChem (CID 66537655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).