4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride

C14H21ClF2N2O4 — CID 120594092

IUPAC4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride
SMILESCOc1ccc(OC(F)F)c(CNC(=O)CC(CN)OC)c1.Cl
InChIInChI=1S/C14H20F2N2O4.ClH/c1-20-10-3-4-12(22-14(15)16)9(5-10)8-18-13(19)6-11(7-17)21-2;/h3-5,11,14H,6-8,17H2,1-2H3,(H,18,19);1H
InChIKeyDQWYFERIPDTENJ-UHFFFAOYSA-N
MW354.78 g/mol
LogP1.70
Rot. Bonds9

About 4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120594092) has the molecular formula C14H21ClF2N2O4 and a molecular weight of 354.78 g/mol. Its IUPAC name is 4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride
PubChem CID120594092
Molecular FormulaC14H21ClF2N2O4
Molecular Weight354.78 g/mol
Exact Mass354.12
IUPAC Name4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride
SMILESCOc1ccc(OC(F)F)c(CNC(=O)CC(CN)OC)c1.Cl
InChIInChI=1S/C14H20F2N2O4.ClH/c1-20-10-3-4-12(22-14(15)16)9(5-10)8-18-13(19)6-11(7-17)21-2;/h3-5,11,14H,6-8,17H2,1-2H3,(H,18,19);1H
InChIKeyDQWYFERIPDTENJ-UHFFFAOYSA-N
XLogP1.70
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.78
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964
4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 120587250
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119816348
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119816353
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide
CID 120588442
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide
CID 119816354
4-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoylamino]butanoic acid
CID 122006058
2-(aminomethyl)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119816333
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119766532
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
3-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1,1,2-trimethylguanidine
CID 86781177
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587300

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride (CID 120594092) is 4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride is COc1ccc(OC(F)F)c(CNC(=O)CC(CN)OC)c1.Cl.
What is the InChIKey of 4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is DQWYFERIPDTENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O4.ClH/c1-20-10-3-4-12(22-14(15)16)9(5-10)8-18-13(19)6-11(7-17)21-2;/h3-5,11,14H,6-8,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 354.78 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120594092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).