3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide

C19H22F2N2O3 — CID 46429061

IUPAC3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
SMILESCOc1cc(CN(C)CCC(=O)Nc2ccccc2)ccc1OC(F)F
InChIInChI=1S/C19H22F2N2O3/c1-23(11-10-18(24)22-15-6-4-3-5-7-15)13-14-8-9-16(26-19(20)21)17(12-14)25-2/h3-9,12,19H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyWWQUORRBWPSHDQ-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.76
Rot. Bonds9

About 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide

3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide (PubChem CID 46429061) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
PubChem CID46429061
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
SMILESCOc1cc(CN(C)CCC(=O)Nc2ccccc2)ccc1OC(F)F
InChIInChI=1S/C19H22F2N2O3/c1-23(11-10-18(24)22-15-6-4-3-5-7-15)13-14-8-9-16(26-19(20)21)17(12-14)25-2/h3-9,12,19H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyWWQUORRBWPSHDQ-UHFFFAOYSA-N
XLogP3.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide
CID 55482218
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24589003
(1S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119817
(1R)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-1-phenylethanol
CID 2119815
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 16555115
2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide
CID 26379534
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9104719
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 8786139
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide?
The IUPAC name of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide (CID 46429061) is 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide.
What is the SMILES notation for 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide?
The canonical SMILES for 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide is COc1cc(CN(C)CCC(=O)Nc2ccccc2)ccc1OC(F)F.
What is the InChIKey of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide?
The InChIKey is WWQUORRBWPSHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-23(11-10-18(24)22-15-6-4-3-5-7-15)13-14-8-9-16(26-19(20)21)17(12-14)25-2/h3-9,12,19H,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide?
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide has a molecular weight of 364.39 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide is sourced from PubChem (CID 46429061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).