N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride

C16H26Cl2N2O2 — CID 119588775

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCCOc1ccccc1Cl.Cl
InChIInChI=1S/C16H25ClN2O2.ClH/c1-12(2)10-13(11-18)19-16(20)8-5-9-21-15-7-4-3-6-14(15)17;/h3-4,6-7,12-13H,5,8-11,18H2,1-2H3,(H,19,20);1H
InChIKeyKJYYJYYOPYZYJV-UHFFFAOYSA-N
MW349.30 g/mol
LogP3.41
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride (PubChem CID 119588775) has the molecular formula C16H26Cl2N2O2 and a molecular weight of 349.30 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
PubChem CID119588775
Molecular FormulaC16H26Cl2N2O2
Molecular Weight349.30 g/mol
Exact Mass348.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCCOc1ccccc1Cl.Cl
InChIInChI=1S/C16H25ClN2O2.ClH/c1-12(2)10-13(11-18)19-16(20)8-5-9-21-15-7-4-3-6-14(15)17;/h3-4,6-7,12-13H,5,8-11,18H2,1-2H3,(H,19,20);1H
InChIKeyKJYYJYYOPYZYJV-UHFFFAOYSA-N
XLogP3.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide
CID 119587183
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
CID 119586798
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
CID 119617753
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
2-[4-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119223409
methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
CID 60753235
N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 119585484
N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride (CID 119588775) is N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride is CC(C)CC(CN)NC(=O)CCCOc1ccccc1Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride?
The InChIKey is KJYYJYYOPYZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2.ClH/c1-12(2)10-13(11-18)19-16(20)8-5-9-21-15-7-4-3-6-14(15)17;/h3-4,6-7,12-13H,5,8-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride has a molecular weight of 349.30 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119588775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).