2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide

C18H21ClN2O2 — CID 119274381

IUPAC2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-21(10-11-23-16-9-5-8-15(19)13-16)18(22)17(20)12-14-6-3-2-4-7-14/h2-9,13,17H,10-12,20H2,1H3
InChIKeyFAIHGAYNAYQZPD-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.75
Rot. Bonds7

About 2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide

2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide (PubChem CID 119274381) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
PubChem CID119274381
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-21(10-11-23-16-9-5-8-15(19)13-16)18(22)17(20)12-14-6-3-2-4-7-14/h2-9,13,17H,10-12,20H2,1H3
InChIKeyFAIHGAYNAYQZPD-UHFFFAOYSA-N
XLogP2.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274352
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
3-benzyl-1-[2-(3-chlorophenoxy)ethyl]-1-methylthiourea
CID 9239672
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61138440

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide (CID 119274381) is 2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide is CN(CCOc1cccc(Cl)c1)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is FAIHGAYNAYQZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(10-11-23-16-9-5-8-15(19)13-16)18(22)17(20)12-14-6-3-2-4-7-14/h2-9,13,17H,10-12,20H2,1H3.
What are the key properties of 2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide?
2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 332.83 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 119274381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).