2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride

C16H25ClF2N2O3 — CID 119716020

IUPAC2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
SMILESCCOc1cc(CNC(=O)C(N)C(C)CC)ccc1OC(F)F.Cl
InChIInChI=1S/C16H24F2N2O3.ClH/c1-4-10(3)14(19)15(21)20-9-11-6-7-12(23-16(17)18)13(8-11)22-5-2;/h6-8,10,14,16H,4-5,9,19H2,1-3H3,(H,20,21);1H
InChIKeyVYFGJZHZVCUIDR-UHFFFAOYSA-N
MW366.84 g/mol
LogP3.10
Rot. Bonds9

About 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride

2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride (PubChem CID 119716020) has the molecular formula C16H25ClF2N2O3 and a molecular weight of 366.84 g/mol. Its IUPAC name is 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
PubChem CID119716020
Molecular FormulaC16H25ClF2N2O3
Molecular Weight366.84 g/mol
Exact Mass366.15
IUPAC Name2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride
SMILESCCOc1cc(CNC(=O)C(N)C(C)CC)ccc1OC(F)F.Cl
InChIInChI=1S/C16H24F2N2O3.ClH/c1-4-10(3)14(19)15(21)20-9-11-6-7-12(23-16(17)18)13(8-11)22-5-2;/h6-8,10,14,16H,4-5,9,19H2,1-3H3,(H,20,21);1H
InChIKeyVYFGJZHZVCUIDR-UHFFFAOYSA-N
XLogP3.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113
2-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-methylpentanamide
CID 119767861
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxybutanamide
CID 120588442
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119690822
2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621442
(2S,3S)-2-amino-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylpentanamide
CID 61155382
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride (CID 119716020) is 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride is CCOc1cc(CNC(=O)C(N)C(C)CC)ccc1OC(F)F.Cl.
What is the InChIKey of 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride?
The InChIKey is VYFGJZHZVCUIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3.ClH/c1-4-10(3)14(19)15(21)20-9-11-6-7-12(23-16(17)18)13(8-11)22-5-2;/h6-8,10,14,16H,4-5,9,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride has a molecular weight of 366.84 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119716020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).