2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide

C14H20F2N2O3 — CID 43406329

IUPAC2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cccc(OC)c1OC(F)F
InChIInChI=1S/C14H20F2N2O3/c1-3-7-18-12(19)9-17-8-10-5-4-6-11(20-2)13(10)21-14(15)16/h4-6,14,17H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyVCOLWFNFECTHHX-UHFFFAOYSA-N
MW302.32 g/mol
LogP1.91
Rot. Bonds9

About 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide

2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide (PubChem CID 43406329) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide
PubChem CID43406329
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cccc(OC)c1OC(F)F
InChIInChI=1S/C14H20F2N2O3/c1-3-7-18-12(19)9-17-8-10-5-4-6-11(20-2)13(10)21-14(15)16/h4-6,14,17H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyVCOLWFNFECTHHX-UHFFFAOYSA-N
XLogP1.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
2-[2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]ethoxy]acetamide
CID 106235526
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884
2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400002
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-pyrazol-1-ylethanamine
CID 61071668
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61464281
methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate
CID 43726123
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 35605521
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylsulfanylbutan-1-amine
CID 115604448
4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol
CID 66089640
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide (CID 43406329) is 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cccc(OC)c1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide?
The InChIKey is VCOLWFNFECTHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-3-7-18-12(19)9-17-8-10-5-4-6-11(20-2)13(10)21-14(15)16/h4-6,14,17H,3,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide?
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide has a molecular weight of 302.32 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide is sourced from PubChem (CID 43406329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).