(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride

C15H23ClF2N2O3 — CID 119816353

IUPAC(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride
SMILESCOc1ccc(OC(F)F)c(CNC(=O)[C@@H](N)CC(C)C)c1.Cl
InChIInChI=1S/C15H22F2N2O3.ClH/c1-9(2)6-12(18)14(20)19-8-10-7-11(21-3)4-5-13(10)22-15(16)17;/h4-5,7,9,12,15H,6,8,18H2,1-3H3,(H,19,20);1H/t12-;/m0./s1
InChIKeySQGXSPXNIURADX-YDALLXLXSA-N
MW352.81 g/mol
LogP2.71
Rot. Bonds8

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

(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride (PubChem CID 119816353) has the molecular formula C15H23ClF2N2O3 and a molecular weight of 352.81 g/mol. Its IUPAC name is (2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride
PubChem CID119816353
Molecular FormulaC15H23ClF2N2O3
Molecular Weight352.81 g/mol
Exact Mass352.14
IUPAC Name(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride
SMILESCOc1ccc(OC(F)F)c(CNC(=O)[C@@H](N)CC(C)C)c1.Cl
InChIInChI=1S/C15H22F2N2O3.ClH/c1-9(2)6-12(18)14(20)19-8-10-7-11(21-3)4-5-13(10)22-15(16)17;/h4-5,7,9,12,15H,6,8,18H2,1-3H3,(H,19,20);1H/t12-;/m0./s1
InChIKeySQGXSPXNIURADX-YDALLXLXSA-N
XLogP2.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide
CID 119816354
(2S)-2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119802569
(2S)-2-amino-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119278486
4-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120594092
2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120991501
4-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoylamino]butanoic acid
CID 122006058
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
2-(aminomethyl)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119816333
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638174
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119816348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride (CID 119816353) is (2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride is COc1ccc(OC(F)F)c(CNC(=O)[C@@H](N)CC(C)C)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride?
The InChIKey is SQGXSPXNIURADX-YDALLXLXSA-N. The full InChI is InChI=1S/C15H22F2N2O3.ClH/c1-9(2)6-12(18)14(20)19-8-10-7-11(21-3)4-5-13(10)22-15(16)17;/h4-5,7,9,12,15H,6,8,18H2,1-3H3,(H,19,20);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride has a molecular weight of 352.81 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119816353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).