3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride

C20H26Cl2N2O2 — CID 119794046

IUPAC3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOC(c1ccc(Cl)cc1)C(C)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H25ClN2O2.ClH/c1-13(18(22)15-7-5-4-6-8-15)20(24)23-14(2)19(25-3)16-9-11-17(21)12-10-16;/h4-14,18-19H,22H2,1-3H3,(H,23,24);1H
InChIKeyBKHLZAXHZRYDPR-UHFFFAOYSA-N
MW397.35 g/mol
LogP4.29
Rot. Bonds7

About 3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119794046) has the molecular formula C20H26Cl2N2O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is 3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119794046
Molecular FormulaC20H26Cl2N2O2
Molecular Weight397.35 g/mol
Exact Mass396.14
IUPAC Name3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOC(c1ccc(Cl)cc1)C(C)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H25ClN2O2.ClH/c1-13(18(22)15-7-5-4-6-8-15)20(24)23-14(2)19(25-3)16-9-11-17(21)12-10-16;/h4-14,18-19H,22H2,1-3H3,(H,23,24);1H
InChIKeyBKHLZAXHZRYDPR-UHFFFAOYSA-N
XLogP4.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668651
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CID 119772930
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
3-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745654
3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide
CID 120611024
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804636
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide
CID 119804637
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119794046) is 3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride is COC(c1ccc(Cl)cc1)C(C)NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is BKHLZAXHZRYDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2.ClH/c1-13(18(22)15-7-5-4-6-8-15)20(24)23-14(2)19(25-3)16-9-11-17(21)12-10-16;/h4-14,18-19H,22H2,1-3H3,(H,23,24);1H.
What are the key properties of 3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 397.35 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119794046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).