N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride

C17H29ClN2O4 — CID 2950217

IUPACN-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCOc1cc(CNCCO)ccc1OCC(=O)NC(C)(C)C.Cl
InChIInChI=1S/C17H28N2O4.ClH/c1-5-22-15-10-13(11-18-8-9-20)6-7-14(15)23-12-16(21)19-17(2,3)4;/h6-7,10,18,20H,5,8-9,11-12H2,1-4H3,(H,19,21);1H
InChIKeyRRWGEVOOBNTZPV-UHFFFAOYSA-N
MW360.88 g/mol
LogP1.88
Rot. Bonds9

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

N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 2950217) has the molecular formula C17H29ClN2O4 and a molecular weight of 360.88 g/mol. Its IUPAC name is N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID2950217
Molecular FormulaC17H29ClN2O4
Molecular Weight360.88 g/mol
Exact Mass360.18
IUPAC NameN-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCOc1cc(CNCCO)ccc1OCC(=O)NC(C)(C)C.Cl
InChIInChI=1S/C17H28N2O4.ClH/c1-5-22-15-10-13(11-18-8-9-20)6-7-14(15)23-12-16(21)19-17(2,3)4;/h6-7,10,18,20H,5,8-9,11-12H2,1-4H3,(H,19,21);1H
InChIKeyRRWGEVOOBNTZPV-UHFFFAOYSA-N
XLogP1.88
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.88
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

NE 21610
CID 6441194
Capsinolol
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CID 67541956
Acetamide, N-(2-(3-((1,1-dimethylethyl)amino)-2-
CID 36711
N-{(acetylamino)[3-methoxy-4-(phenylmethoxy)phenyl]methyl}acetamide
CID 693353
2-{[3-Methoxy-4-(2-phenylethoxy)benzyl]amino}ethanol
CID 2980382
N-(4-ethoxy-3-methoxybenzyl)cyclooctanamine hydrochloride
CID 2993164
2-{4-[(Cyclooctylamino)methyl]-2-methoxyphenoxy}acetamide
CID 4723030
2-{2-Methoxy-5-[(phenethylamino)methyl]phenoxy}acetamide
CID 2217311
3-(3,4-Dimethoxyphenyl)-3-[(phenoxyacetyl)amino]propanoic acid
CID 3239444
3-(4-Ethoxy-3-methoxyphenyl)-3-[(phenoxyacetyl)amino]propanoic acid
CID 3380102
2-[5-bromo-4-({[1-(hydroxymethyl)propyl]amino}methyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 11841956

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride (CID 2950217) is N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride is CCOc1cc(CNCCO)ccc1OCC(=O)NC(C)(C)C.Cl.
What is the InChIKey of N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is RRWGEVOOBNTZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4.ClH/c1-5-22-15-10-13(11-18-8-9-20)6-7-14(15)23-12-16(21)19-17(2,3)4;/h6-7,10,18,20H,5,8-9,11-12H2,1-4H3,(H,19,21);1H.
What are the key properties of N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride?
N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 360.88 g/mol, XLogP of 1.88, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-ethoxy-4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 2950217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).