2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride

C19H31ClN2O2 — CID 120793021

IUPAC2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1ccccc1C(CC(C)C)NC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-13(2)12-17(16-7-5-4-6-14(16)3)21-19(22)18(20)15-8-10-23-11-9-15;/h4-7,13,15,17-18H,8-12,20H2,1-3H3,(H,21,22);1H
InChIKeyVVRZTZBCUMFPII-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.37
Rot. Bonds6

About 2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120793021) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120793021
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCc1ccccc1C(CC(C)C)NC(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-13(2)12-17(16-7-5-4-6-14(16)3)21-19(22)18(20)15-8-10-23-11-9-15;/h4-7,13,15,17-18H,8-12,20H2,1-3H3,(H,21,22);1H
InChIKeyVVRZTZBCUMFPII-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
CID 120782923
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 119323124
3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
CID 119323120
2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide
CID 119782823
2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride
CID 120791363
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
2-amino-2-(oxan-4-yl)-N-(1-phenylpentan-2-yl)acetamide;hydrochloride
CID 120791991
2-amino-2-(oxan-4-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 120791380
2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
CID 120790392

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120793021) is 2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cc1ccccc1C(CC(C)C)NC(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is VVRZTZBCUMFPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-13(2)12-17(16-7-5-4-6-14(16)3)21-19(22)18(20)15-8-10-23-11-9-15;/h4-7,13,15,17-18H,8-12,20H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120793021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).