4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride

C16H27ClN2O2 — CID 119332237

IUPAC4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCCN)cc1OCCC(C)C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(2)8-10-20-15-11-14(7-6-13(15)3)18-16(19)5-4-9-17;/h6-7,11-12H,4-5,8-10,17H2,1-3H3,(H,18,19);1H
InChIKeyNJZLHSUWVMIRKU-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.52
Rot. Bonds8

About 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride

4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride (PubChem CID 119332237) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride
PubChem CID119332237
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCCN)cc1OCCC(C)C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(2)8-10-20-15-11-14(7-6-13(15)3)18-16(19)5-4-9-17;/h6-7,11-12H,4-5,8-10,17H2,1-3H3,(H,18,19);1H
InChIKeyNJZLHSUWVMIRKU-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide
CID 120563196
4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide
CID 119325432
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
CID 119768175
1-(1-hydroxypropan-2-yl)-3-[4-methyl-3-(3-methylbutoxy)phenyl]urea
CID 111443385
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
4-amino-N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]butanamide;dihydrochloride
CID 119889617
N-(3-amino-4-methoxyphenyl)-5-(2,5-dimethylphenoxy)pentanamide;hydrochloride
CID 119419203
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893255
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride (CID 119332237) is 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride is Cc1ccc(NC(=O)CCCN)cc1OCCC(C)C.Cl.
What is the InChIKey of 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride?
The InChIKey is NJZLHSUWVMIRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-12(2)8-10-20-15-11-14(7-6-13(15)3)18-16(19)5-4-9-17;/h6-7,11-12H,4-5,8-10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride?
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride has a molecular weight of 314.86 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 4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119332237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).