N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide

C21H32F2N2O4 — CID 56550163

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C21H32F2N2O4/c1-5-12-25(13-6-2)20(27)9-7-8-19(26)24(3)15-16-10-11-17(29-21(22)23)18(14-16)28-4/h10-11,14,21H,5-9,12-13,15H2,1-4H3
InChIKeyWECSKULBJCHSQY-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.07
Rot. Bonds13

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide (PubChem CID 56550163) has the molecular formula C21H32F2N2O4 and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide
PubChem CID56550163
Molecular FormulaC21H32F2N2O4
Molecular Weight414.49 g/mol
Exact Mass414.23
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C21H32F2N2O4/c1-5-12-25(13-6-2)20(27)9-7-8-19(26)24(3)15-16-10-11-17(29-21(22)23)18(14-16)28-4/h10-11,14,21H,5-9,12-13,15H2,1-4H3
InChIKeyWECSKULBJCHSQY-UHFFFAOYSA-N
XLogP4.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 55930131
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-heptan-2-yl-1-methylurea
CID 55505837
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809759
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylacetamide
CID 55612142
5-bromo-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27781128
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55409823
N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56538297
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119717111

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide (CID 56550163) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide?
The InChIKey is WECSKULBJCHSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F2N2O4/c1-5-12-25(13-6-2)20(27)9-7-8-19(26)24(3)15-16-10-11-17(29-21(22)23)18(14-16)28-4/h10-11,14,21H,5-9,12-13,15H2,1-4H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide has a molecular weight of 414.49 g/mol, XLogP of 4.07, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56550163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).