N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride

C16H24BrClN2O2 — CID 119801130

IUPACN-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
SMILESCOCCNCC(=O)N(C)CC1(c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-19(15(20)11-18-9-10-21-2)12-16(7-8-16)13-3-5-14(17)6-4-13;/h3-6,18H,7-12H2,1-2H3;1H
InChIKeyCNGIWFKMRNSOPS-UHFFFAOYSA-N
MW391.74 g/mol
LogP2.60
Rot. Bonds8

About N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride

N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride (PubChem CID 119801130) has the molecular formula C16H24BrClN2O2 and a molecular weight of 391.74 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
PubChem CID119801130
Molecular FormulaC16H24BrClN2O2
Molecular Weight391.74 g/mol
Exact Mass390.07
IUPAC NameN-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
SMILESCOCCNCC(=O)N(C)CC1(c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C16H23BrN2O2.ClH/c1-19(15(20)11-18-9-10-21-2)12-16(7-8-16)13-3-5-14(17)6-4-13;/h3-6,18H,7-12H2,1-2H3;1H
InChIKeyCNGIWFKMRNSOPS-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417
N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119771057
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide
CID 97215973
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride
CID 119801110
N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119805687
1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 68890451
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
2-(2-methoxyethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide;hydrochloride
CID 119698187
N-(cyclobutylmethyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79282440
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
2-(2-methoxyethylamino)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 119699125

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The IUPAC name of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride (CID 119801130) is N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride is COCCNCC(=O)N(C)CC1(c2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
The InChIKey is CNGIWFKMRNSOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2.ClH/c1-19(15(20)11-18-9-10-21-2)12-16(7-8-16)13-3-5-14(17)6-4-13;/h3-6,18H,7-12H2,1-2H3;1H.
What are the key properties of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride?
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride has a molecular weight of 391.74 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119801130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).