N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide

C18H21ClN2O2 — CID 120649279

IUPACN-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
SMILESNCCCN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c19-16-7-9-17(10-8-16)23-14-18(22)21(12-4-11-20)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14,20H2
InChIKeySUAGDDNMDQUEAR-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.10
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide

N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide (PubChem CID 120649279) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
PubChem CID120649279
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
SMILESNCCCN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c19-16-7-9-17(10-8-16)23-14-18(22)21(12-4-11-20)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14,20H2
InChIKeySUAGDDNMDQUEAR-UHFFFAOYSA-N
XLogP3.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride
CID 120649975
[4-[[benzyl-[2-(4-chlorophenoxy)acetyl]amino]methyl]phenyl] methanesulfonate
CID 4527269
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide
CID 141107916
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
CID 83969246
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
CID 112778759
2-[2-[3-aminopropyl(benzyl)amino]-2-oxoethyl]sulfanylacetamide
CID 120649057

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide (CID 120649279) is N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide is NCCCN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide?
The InChIKey is SUAGDDNMDQUEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-7-9-17(10-8-16)23-14-18(22)21(12-4-11-20)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14,20H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide?
N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.10, 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-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 120649279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).