N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride

C13H21ClN2O — CID 171241846

IUPACN-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc([C@@H](N)C(C)(C)C)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9(16)15-11-7-5-10(6-8-11)12(14)13(2,3)4;/h5-8,12H,14H2,1-4H3,(H,15,16);1H/t12-;/m1./s1
InChIKeyGANPOUJBNIKHQK-UTONKHPSSA-N
MW256.78 g/mol
LogP3.11
Rot. Bonds2

About N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride

N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride (PubChem CID 171241846) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
PubChem CID171241846
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc([C@@H](N)C(C)(C)C)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9(16)15-11-7-5-10(6-8-11)12(14)13(2,3)4;/h5-8,12H,14H2,1-4H3,(H,15,16);1H/t12-;/m1./s1
InChIKeyGANPOUJBNIKHQK-UTONKHPSSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline
CID 130625593
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181
N-[4-(2-amino-3,3-dimethylbutyl)sulfanylphenyl]acetamide
CID 64649554
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide
CID 131124936
N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
CID 171206638
4-[(1S)-1-amino-2,2-dimethylpropyl]benzoic acid
CID 171238860
N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride
CID 171259999
N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
CID 139644819
N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
CID 171268646

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride (CID 171241846) is N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc([C@@H](N)C(C)(C)C)cc1.Cl.
What is the InChIKey of N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride?
The InChIKey is GANPOUJBNIKHQK-UTONKHPSSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-9(16)15-11-7-5-10(6-8-11)12(14)13(2,3)4;/h5-8,12H,14H2,1-4H3,(H,15,16);1H/t12-;/m1./s1.
What are the key properties of N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride?
N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 171241846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).