N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride

C18H23ClN2O2 — CID 120649017

IUPACN-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C18H22N2O2.ClH/c19-12-7-13-20(14-16-8-3-1-4-9-16)18(21)15-22-17-10-5-2-6-11-17;/h1-6,8-11H,7,12-15,19H2;1H
InChIKeySXTNHAWNMTUIJY-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.86
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride (PubChem CID 120649017) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
PubChem CID120649017
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C18H22N2O2.ClH/c19-12-7-13-20(14-16-8-3-1-4-9-16)18(21)15-22-17-10-5-2-6-11-17;/h1-6,8-11H,7,12-15,19H2;1H
InChIKeySXTNHAWNMTUIJY-UHFFFAOYSA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
CID 120649279
N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride
CID 120649975
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
CID 83969246
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057
N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 120648333
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-(3-aminopropyl)-N-cyclopropyl-2-phenoxyacetamide
CID 43136742
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylacetamide
CID 107366137

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride (CID 120649017) is N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride?
The InChIKey is SXTNHAWNMTUIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c19-12-7-13-20(14-16-8-3-1-4-9-16)18(21)15-22-17-10-5-2-6-11-17;/h1-6,8-11H,7,12-15,19H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride is sourced from PubChem (CID 120649017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).