N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide

C18H21ClN2O2 — CID 108998211

IUPACN-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
SMILESCOc1ccccc1CCNCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-23-17-5-3-2-4-15(17)10-11-20-13-18(22)21-12-14-6-8-16(19)9-7-14/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyNSICWUPYHODVIS-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.80
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide

N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide (PubChem CID 108998211) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
PubChem CID108998211
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
SMILESCOc1ccccc1CCNCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O2/c1-23-17-5-3-2-4-15(17)10-11-20-13-18(22)21-12-14-6-8-16(19)9-7-14/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyNSICWUPYHODVIS-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 108998209
2-[2-(2-fluorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000124
2-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)acetamide
CID 109000620
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997498
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000723
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide (CID 108998211) is N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide is COc1ccccc1CCNCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide?
The InChIKey is NSICWUPYHODVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-23-17-5-3-2-4-15(17)10-11-20-13-18(22)21-12-14-6-8-16(19)9-7-14/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide has a molecular weight of 332.83 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 108998211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).