N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride

C14H22BrClN2O3 — CID 133061504

IUPACN-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride
SMILESCOC(CNCC(=O)NCCc1cccc(Br)c1)OC.Cl
InChIInChI=1S/C14H21BrN2O3.ClH/c1-19-14(20-2)10-16-9-13(18)17-7-6-11-4-3-5-12(15)8-11;/h3-5,8,14,16H,6-7,9-10H2,1-2H3,(H,17,18);1H
InChIKeyLOTWMESLEONJPO-UHFFFAOYSA-N
MW381.70 g/mol
LogP1.74
Rot. Bonds9

About N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride

N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride (PubChem CID 133061504) has the molecular formula C14H22BrClN2O3 and a molecular weight of 381.70 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride
PubChem CID133061504
Molecular FormulaC14H22BrClN2O3
Molecular Weight381.70 g/mol
Exact Mass380.05
IUPAC NameN-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride
SMILESCOC(CNCC(=O)NCCc1cccc(Br)c1)OC.Cl
InChIInChI=1S/C14H21BrN2O3.ClH/c1-19-14(20-2)10-16-9-13(18)17-7-6-11-4-3-5-12(15)8-11;/h3-5,8,14,16H,6-7,9-10H2,1-2H3,(H,17,18);1H
InChIKeyLOTWMESLEONJPO-UHFFFAOYSA-N
XLogP1.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride
CID 46224006
N-[(3-bromophenyl)methyl]-2,2-dimethoxyethanamine
CID 60657346
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 115158540
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
3-bromo-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 26775759
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide
CID 115180792
1-[2-(3-bromophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891452
1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108901254
N'-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
CID 4312988
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride (CID 133061504) is N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride is COC(CNCC(=O)NCCc1cccc(Br)c1)OC.Cl.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride?
The InChIKey is LOTWMESLEONJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3.ClH/c1-19-14(20-2)10-16-9-13(18)17-7-6-11-4-3-5-12(15)8-11;/h3-5,8,14,16H,6-7,9-10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride?
N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride has a molecular weight of 381.70 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 133061504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).