2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride

C20H25ClN2O3 — CID 119340201

IUPAC2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride
SMILESCc1ccc(CNC(=O)C(N)c2ccccc2)c(OC2CCOC2)c1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-14-7-8-16(18(11-14)25-17-9-10-24-13-17)12-22-20(23)19(21)15-5-3-2-4-6-15;/h2-8,11,17,19H,9-10,12-13,21H2,1H3,(H,22,23);1H
InChIKeyXGRKLSOUTJXHQB-UHFFFAOYSA-N
MW376.88 g/mol
LogP2.90
Rot. Bonds6

About 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride

2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride (PubChem CID 119340201) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride
PubChem CID119340201
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride
SMILESCc1ccc(CNC(=O)C(N)c2ccccc2)c(OC2CCOC2)c1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-14-7-8-16(18(11-14)25-17-9-10-24-13-17)12-22-20(23)19(21)15-5-3-2-4-6-15;/h2-8,11,17,19H,9-10,12-13,21H2,1H3,(H,22,23);1H
InChIKeyXGRKLSOUTJXHQB-UHFFFAOYSA-N
XLogP2.90
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 120992488
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pentanamide;hydrochloride
CID 119340205
2-(methylamino)-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]acetamide;hydrochloride
CID 119812658
N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]prop-2-enamide
CID 166406216
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride
CID 119334420
3-[2-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]-2-oxoethyl]benzoic acid
CID 120551363
cis-(1R,2S)-2-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697565
cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697586
trans-(1R,2R)-2-amino-N-[[4-methyl-2-[(3S)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 125146337
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795647
2-amino-N-[(4-methyl-2-phenoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120795648
1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 154849931

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride (CID 119340201) is 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride is Cc1ccc(CNC(=O)C(N)c2ccccc2)c(OC2CCOC2)c1.Cl.
What is the InChIKey of 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride?
The InChIKey is XGRKLSOUTJXHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-14-7-8-16(18(11-14)25-17-9-10-24-13-17)12-22-20(23)19(21)15-5-3-2-4-6-15;/h2-8,11,17,19H,9-10,12-13,21H2,1H3,(H,22,23);1H.
What are the key properties of 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride?
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119340201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).