N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide

C19H22ClNO2 — CID 46770642

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-17(23-18-8-6-5-7-14(18)2)19(22)21(3)13-15-9-11-16(20)12-10-15/h5-12,17H,4,13H2,1-3H3
InChIKeyUIPYZCSNCRWMOA-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.46
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide

N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide (PubChem CID 46770642) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide
PubChem CID46770642
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-17(23-18-8-6-5-7-14(18)2)19(22)21(3)13-15-9-11-16(20)12-10-15/h5-12,17H,4,13H2,1-3H3
InChIKeyUIPYZCSNCRWMOA-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(4-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 92646894
N,N-dibenzyl-2-(2-methylphenoxy)butanamide
CID 43916295
(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 94016620
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132652420
N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide
CID 13232221
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
(2R)-2-(2-methylphenoxy)butanoyl chloride
CID 51980370
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
acetaldehyde;1-chloro-4-ethylbenzene;heptane;3-(2-methylphenoxy)pentan-2-one
CID 144994905
(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide
CID 28575103
(2R)-N-cyclopentyl-N-methyl-2-(2-methylphenoxy)butanamide
CID 92680266
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide (CID 46770642) is N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide?
The InChIKey is UIPYZCSNCRWMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-4-17(23-18-8-6-5-7-14(18)2)19(22)21(3)13-15-9-11-16(20)12-10-15/h5-12,17H,4,13H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide?
N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide has a molecular weight of 331.84 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 46770642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).