N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide

C21H26FNO4 — CID 110308894

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)C(C)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C21H26FNO4/c1-14(11-15-5-8-17(22)9-6-15)21(25)23(2)13-18(24)16-7-10-19(26-3)20(12-16)27-4/h5-10,12,14,18,24H,11,13H2,1-4H3
InChIKeyDZSHWZQEIUXCRG-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.21
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide (PubChem CID 110308894) has the molecular formula C21H26FNO4 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide
PubChem CID110308894
Molecular FormulaC21H26FNO4
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)C(C)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C21H26FNO4/c1-14(11-15-5-8-17(22)9-6-15)21(25)23(2)13-18(24)16-7-10-19(26-3)20(12-16)27-4/h5-10,12,14,18,24H,11,13H2,1-4H3
InChIKeyDZSHWZQEIUXCRG-UHFFFAOYSA-N
XLogP3.21
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865
3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylurea
CID 110629742
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105192119
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 110629778
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
CID 110308885
N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 48854171
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide (CID 110308894) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide is COc1ccc(C(O)CN(C)C(=O)C(C)Cc2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide?
The InChIKey is DZSHWZQEIUXCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO4/c1-14(11-15-5-8-17(22)9-6-15)21(25)23(2)13-18(24)16-7-10-19(26-3)20(12-16)27-4/h5-10,12,14,18,24H,11,13H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide has a molecular weight of 375.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 110308894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).