N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide

C19H22ClNO2 — CID 112792657

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
SMILESCC(CC(=O)N(C)CCOc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-15(16-6-4-3-5-7-16)14-19(22)21(2)12-13-23-18-10-8-17(20)9-11-18/h3-11,15H,12-14H2,1-2H3
InChIKeyUUCRTOZLQDYLCI-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.37
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide (PubChem CID 112792657) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
PubChem CID112792657
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
SMILESCC(CC(=O)N(C)CCOc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-15(16-6-4-3-5-7-16)14-19(22)21(2)12-13-23-18-10-8-17(20)9-11-18/h3-11,15H,12-14H2,1-2H3
InChIKeyUUCRTOZLQDYLCI-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide
CID 81075313
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
CID 2106515
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115
2-chloro-N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31190115
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 22949885
2-[[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]methyl]-3-methylbutanoic acid
CID 21259088
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide (CID 112792657) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide is CC(CC(=O)N(C)CCOc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide?
The InChIKey is UUCRTOZLQDYLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-15(16-6-4-3-5-7-16)14-19(22)21(2)12-13-23-18-10-8-17(20)9-11-18/h3-11,15H,12-14H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide has a molecular weight of 331.84 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 112792657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).