4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride

C16H27ClN2O2 — CID 120590068

IUPAC4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-16(2,3)12-6-8-13(9-7-12)18(4)15(19)10-14(11-17)20-5;/h6-9,14H,10-11,17H2,1-5H3;1H
InChIKeyVYNJWZLJCXPCOT-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.73
Rot. Bonds5

About 4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride

4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride (PubChem CID 120590068) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
PubChem CID120590068
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-16(2,3)12-6-8-13(9-7-12)18(4)15(19)10-14(11-17)20-5;/h6-9,14H,10-11,17H2,1-5H3;1H
InChIKeyVYNJWZLJCXPCOT-UHFFFAOYSA-N
XLogP2.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-ethylphenyl)-3-methoxy-N-methylbutanamide
CID 103155730
4-amino-N-(3,5-dimethylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120589892
4-amino-3-methoxy-N-methyl-N-(3-methylphenyl)butanamide
CID 103155733
methyl 3-(4-tert-butyl-N-methylanilino)-3-oxopropanoate
CID 115174195
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679
4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120593768
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride (CID 120590068) is 4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride is COC(CN)CC(=O)N(C)c1ccc(C(C)(C)C)cc1.Cl.
What is the InChIKey of 4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride?
The InChIKey is VYNJWZLJCXPCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-16(2,3)12-6-8-13(9-7-12)18(4)15(19)10-14(11-17)20-5;/h6-9,14H,10-11,17H2,1-5H3;1H.
What are the key properties of 4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride?
4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 120590068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).