4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide

C15H22F2N2O4 — CID 120588442

IUPAC4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide
SMILESCCOc1cc(CNC(=O)CC(CN)OC)ccc1OC(F)F
InChIInChI=1S/C15H22F2N2O4/c1-3-22-13-6-10(4-5-12(13)23-15(16)17)9-19-14(20)7-11(8-18)21-2/h4-6,11,15H,3,7-9,18H2,1-2H3,(H,19,20)
InChIKeyROJXOZNIZMYNKU-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.67
Rot. Bonds10

About 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide

4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide (PubChem CID 120588442) has the molecular formula C15H22F2N2O4 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide
PubChem CID120588442
Molecular FormulaC15H22F2N2O4
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide
SMILESCCOc1cc(CNC(=O)CC(CN)OC)ccc1OC(F)F
InChIInChI=1S/C15H22F2N2O4/c1-3-22-13-6-10(4-5-12(13)23-15(16)17)9-19-14(20)7-11(8-18)21-2/h4-6,11,15H,3,7-9,18H2,1-2H3,(H,19,20)
InChIKeyROJXOZNIZMYNKU-UHFFFAOYSA-N
XLogP1.67
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 31553468
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120594092
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
CID 119716020
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-N-methylacetamide
CID 43214426
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
2-(aminomethyl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 43148251
4-amino-N-[(4-bromo-3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120590647
3-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]benzoic acid
CID 120509977

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide (CID 120588442) is 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide is CCOc1cc(CNC(=O)CC(CN)OC)ccc1OC(F)F.
What is the InChIKey of 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide?
The InChIKey is ROJXOZNIZMYNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O4/c1-3-22-13-6-10(4-5-12(13)23-15(16)17)9-19-14(20)7-11(8-18)21-2/h4-6,11,15H,3,7-9,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide?
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide has a molecular weight of 332.35 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide is sourced from PubChem (CID 120588442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).