3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride

C19H33ClN2O2 — CID 120500609

IUPAC3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride
SMILESCC(C)COc1ccc(C(C)(C)CNC(=O)C(C)C(C)N)cc1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-13(2)11-23-17-9-7-16(8-10-17)19(5,6)12-21-18(22)14(3)15(4)20;/h7-10,13-15H,11-12,20H2,1-6H3,(H,21,22);1H
InChIKeyWXBAZMDLNSNZSG-UHFFFAOYSA-N
MW356.94 g/mol
LogP3.52
Rot. Bonds8

About 3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride

3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride (PubChem CID 120500609) has the molecular formula C19H33ClN2O2 and a molecular weight of 356.94 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride
PubChem CID120500609
Molecular FormulaC19H33ClN2O2
Molecular Weight356.94 g/mol
Exact Mass356.22
IUPAC Name3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride
SMILESCC(C)COc1ccc(C(C)(C)CNC(=O)C(C)C(C)N)cc1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-13(2)11-23-17-9-7-16(8-10-17)19(5,6)12-21-18(22)14(3)15(4)20;/h7-10,13-15H,11-12,20H2,1-6H3,(H,21,22);1H
InChIKeyWXBAZMDLNSNZSG-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
CID 86813594
2-methyl-1-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
CID 111107736
2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide
CID 120631655
2-(cyclopropylmethylamino)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]acetamide
CID 119778674
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride
CID 119320715
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-2-pyrrolidin-2-ylacetamide
CID 119778688
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 119778685
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylpentanamide
CID 119758287
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119758276

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride (CID 120500609) is 3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride is CC(C)COc1ccc(C(C)(C)CNC(=O)C(C)C(C)N)cc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride?
The InChIKey is WXBAZMDLNSNZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2.ClH/c1-13(2)11-23-17-9-7-16(8-10-17)19(5,6)12-21-18(22)14(3)15(4)20;/h7-10,13-15H,11-12,20H2,1-6H3,(H,21,22);1H.
What are the key properties of 3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride?
3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride is sourced from PubChem (CID 120500609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).