N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride

C16H26ClN3O4 — CID 70704157

IUPACN-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride
SMILESCOCCNCC(O)c1cccc(NC(=O)C(=O)NC(C)C)c1.Cl
InChIInChI=1S/C16H25N3O4.ClH/c1-11(2)18-15(21)16(22)19-13-6-4-5-12(9-13)14(20)10-17-7-8-23-3;/h4-6,9,11,14,17,20H,7-8,10H2,1-3H3,(H,18,21)(H,19,22);1H
InChIKeyORFFBGPVPXNVRE-UHFFFAOYSA-N
MW359.85 g/mol
LogP0.84
Rot. Bonds8

About N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride

N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride (PubChem CID 70704157) has the molecular formula C16H26ClN3O4 and a molecular weight of 359.85 g/mol. Its IUPAC name is N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride
PubChem CID70704157
Molecular FormulaC16H26ClN3O4
Molecular Weight359.85 g/mol
Exact Mass359.16
IUPAC NameN-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride
SMILESCOCCNCC(O)c1cccc(NC(=O)C(=O)NC(C)C)c1.Cl
InChIInChI=1S/C16H25N3O4.ClH/c1-11(2)18-15(21)16(22)19-13-6-4-5-12(9-13)14(20)10-17-7-8-23-3;/h4-6,9,11,14,17,20H,7-8,10H2,1-3H3,(H,18,21)(H,19,22);1H
InChIKeyORFFBGPVPXNVRE-UHFFFAOYSA-N
XLogP0.84
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 115529301
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2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
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1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996313
1-[3-(2-methoxyethylamino)phenyl]ethanol
CID 83962984
1-(3-chloro-4-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 106818725
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
N-[3-(1-hydroxy-2-methoxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
CID 126817903
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide
CID 111444404

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride?
The IUPAC name of N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride (CID 70704157) is N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride.
What is the SMILES notation for N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride?
The canonical SMILES for N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride is COCCNCC(O)c1cccc(NC(=O)C(=O)NC(C)C)c1.Cl.
What is the InChIKey of N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride?
The InChIKey is ORFFBGPVPXNVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4.ClH/c1-11(2)18-15(21)16(22)19-13-6-4-5-12(9-13)14(20)10-17-7-8-23-3;/h4-6,9,11,14,17,20H,7-8,10H2,1-3H3,(H,18,21)(H,19,22);1H.
What are the key properties of N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride?
N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride has a molecular weight of 359.85 g/mol, XLogP of 0.84, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-hydroxy-2-(2-methoxyethylamino)ethyl]phenyl]-N'-propan-2-yloxamide;hydrochloride is sourced from PubChem (CID 70704157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).