N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide

C19H21F2NO4 — CID 9261506

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide
SMILESCOc1cc(CNC(=O)CCOc2cccc(C)c2)ccc1OC(F)F
InChIInChI=1S/C19H21F2NO4/c1-13-4-3-5-15(10-13)25-9-8-18(23)22-12-14-6-7-16(26-19(20)21)17(11-14)24-2/h3-7,10-11,19H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyTYHDSHYHXLMAPK-UHFFFAOYSA-N
MW365.38 g/mol
LogP3.69
Rot. Bonds9

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide (PubChem CID 9261506) has the molecular formula C19H21F2NO4 and a molecular weight of 365.38 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide
PubChem CID9261506
Molecular FormulaC19H21F2NO4
Molecular Weight365.38 g/mol
Exact Mass365.14
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide
SMILESCOc1cc(CNC(=O)CCOc2cccc(C)c2)ccc1OC(F)F
InChIInChI=1S/C19H21F2NO4/c1-13-4-3-5-15(10-13)25-9-8-18(23)22-12-14-6-7-16(26-19(20)21)17(11-14)24-2/h3-7,10-11,19H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyTYHDSHYHXLMAPK-UHFFFAOYSA-N
XLogP3.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dimethylphenyl)propanamide
CID 36937319
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 31424462
4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
CID 55741890
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 42007165
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 9261479
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 9262125
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide (CID 9261506) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide is COc1cc(CNC(=O)CCOc2cccc(C)c2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is TYHDSHYHXLMAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO4/c1-13-4-3-5-15(10-13)25-9-8-18(23)22-12-14-6-7-16(26-19(20)21)17(11-14)24-2/h3-7,10-11,19H,8-9,12H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 365.38 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 9261506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).