N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide

C22H25F2NO5 — CID 31424462

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C22H25F2NO5/c1-3-12-29-17-7-5-16(6-8-17)18(26)9-11-21(27)25-14-15-4-10-19(30-22(23)24)20(13-15)28-2/h4-8,10,13,22H,3,9,11-12,14H2,1-2H3,(H,25,27)
InChIKeyJHODJPYYZFAHCT-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.36
Rot. Bonds12

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 31424462) has the molecular formula C22H25F2NO5 and a molecular weight of 421.44 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID31424462
Molecular FormulaC22H25F2NO5
Molecular Weight421.44 g/mol
Exact Mass421.17
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1
InChIInChI=1S/C22H25F2NO5/c1-3-12-29-17-7-5-16(6-8-17)18(26)9-11-21(27)25-14-15-4-10-19(30-22(23)24)20(13-15)28-2/h4-8,10,13,22H,3,9,11-12,14H2,1-2H3,(H,25,27)
InChIKeyJHODJPYYZFAHCT-UHFFFAOYSA-N
XLogP4.36
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 9261479
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide
CID 9261506
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55509603
4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
CID 55741890
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 9262125
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17480128

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide (CID 31424462) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NCc2ccc(OC(F)F)c(OC)c2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is JHODJPYYZFAHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO5/c1-3-12-29-17-7-5-16(6-8-17)18(26)9-11-21(27)25-14-15-4-10-19(30-22(23)24)20(13-15)28-2/h4-8,10,13,22H,3,9,11-12,14H2,1-2H3,(H,25,27).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 421.44 g/mol, XLogP of 4.36, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 31424462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).