2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide

C20H24F2N2O3 — CID 51251248

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(C(CNC(=O)Cc2ccc(OC(F)F)cc2)N(C)C)c1
InChIInChI=1S/C20H24F2N2O3/c1-24(2)18(15-5-4-6-17(12-15)26-3)13-23-19(25)11-14-7-9-16(10-8-14)27-20(21)22/h4-10,12,18,20H,11,13H2,1-3H3,(H,23,25)
InChIKeyVLAKBIOUSXKJCG-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.26
Rot. Bonds9

About 2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 51251248) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID51251248
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(C(CNC(=O)Cc2ccc(OC(F)F)cc2)N(C)C)c1
InChIInChI=1S/C20H24F2N2O3/c1-24(2)18(15-5-4-6-17(12-15)26-3)13-23-19(25)11-14-7-9-16(10-8-14)27-20(21)22/h4-10,12,18,20H,11,13H2,1-3H3,(H,23,25)
InChIKeyVLAKBIOUSXKJCG-UHFFFAOYSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiourea
CID 8656322
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 32632483
2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 47024523
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55527106
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide (CID 51251248) is 2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(C(CNC(=O)Cc2ccc(OC(F)F)cc2)N(C)C)c1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is VLAKBIOUSXKJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-24(2)18(15-5-4-6-17(12-15)26-3)13-23-19(25)11-14-7-9-16(10-8-14)27-20(21)22/h4-10,12,18,20H,11,13H2,1-3H3,(H,23,25).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 378.42 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 51251248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).