N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C20H21F2NO4 — CID 18128266

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H21F2NO4/c1-13-3-9-18(26-2)16(11-13)17(24)8-10-19(25)23-12-14-4-6-15(7-5-14)27-20(21)22/h3-7,9,11,20H,8,10,12H2,1-2H3,(H,23,25)
InChIKeySMBGNDRIFZSQLF-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.88
Rot. Bonds9

About N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 18128266) has the molecular formula C20H21F2NO4 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID18128266
Molecular FormulaC20H21F2NO4
Molecular Weight377.39 g/mol
Exact Mass377.14
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H21F2NO4/c1-13-3-9-18(26-2)16(11-13)17(24)8-10-19(25)23-12-14-4-6-15(7-5-14)27-20(21)22/h3-7,9,11,20H,8,10,12H2,1-2H3,(H,23,25)
InChIKeySMBGNDRIFZSQLF-UHFFFAOYSA-N
XLogP3.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18116815
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18104964
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 60941319
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dimethylphenyl)propanamide
CID 36937319
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 2608525
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 31424462
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 18128266) is N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is SMBGNDRIFZSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO4/c1-13-3-9-18(26-2)16(11-13)17(24)8-10-19(25)23-12-14-4-6-15(7-5-14)27-20(21)22/h3-7,9,11,20H,8,10,12H2,1-2H3,(H,23,25).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 377.39 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 18128266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).