N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride

C13H21ClN2O — CID 171206638

IUPACN-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
SMILESCCC(C)[C@@H](N)c1ccc(NC(C)=O)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-4-9(2)13(14)11-5-7-12(8-6-11)15-10(3)16;/h5-9,13H,4,14H2,1-3H3,(H,15,16);1H/t9?,13-;/m1./s1
InChIKeyIVMJFRYTQIBFDZ-SXMPBOCKSA-N
MW256.78 g/mol
LogP3.11
Rot. Bonds4

About N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride

N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride (PubChem CID 171206638) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
PubChem CID171206638
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
SMILESCCC(C)[C@@H](N)c1ccc(NC(C)=O)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-4-9(2)13(14)11-5-7-12(8-6-11)15-10(3)16;/h5-9,13H,4,14H2,1-3H3,(H,15,16);1H/t9?,13-;/m1./s1
InChIKeyIVMJFRYTQIBFDZ-SXMPBOCKSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
CID 171268646
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
CID 171241846
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride
CID 171304593
3-[4-[(2-amino-3-methylpentanoyl)amino]phenyl]butanoic acid
CID 104503054

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride (CID 171206638) is N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride is CCC(C)[C@@H](N)c1ccc(NC(C)=O)cc1.Cl.
What is the InChIKey of N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride?
The InChIKey is IVMJFRYTQIBFDZ-SXMPBOCKSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-4-9(2)13(14)11-5-7-12(8-6-11)15-10(3)16;/h5-9,13H,4,14H2,1-3H3,(H,15,16);1H/t9?,13-;/m1./s1.
What are the key properties of N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride?
N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 171206638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).