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

C16H26Cl2N2O2 — CID 119668746

IUPACN-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCCOc1ccccc1Cl.Cl
InChIInChI=1S/C16H25ClN2O2.ClH/c1-2-3-7-13(12-18)19-16(20)10-6-11-21-15-9-5-4-8-14(15)17;/h4-5,8-9,13H,2-3,6-7,10-12,18H2,1H3,(H,19,20);1H
InChIKeyQHPNVSGXADMKKX-UHFFFAOYSA-N
MW349.30 g/mol
LogP3.55
Rot. Bonds10

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

N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride (PubChem CID 119668746) has the molecular formula C16H26Cl2N2O2 and a molecular weight of 349.30 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
PubChem CID119668746
Molecular FormulaC16H26Cl2N2O2
Molecular Weight349.30 g/mol
Exact Mass348.14
IUPAC NameN-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCCOc1ccccc1Cl.Cl
InChIInChI=1S/C16H25ClN2O2.ClH/c1-2-3-7-13(12-18)19-16(20)10-6-11-21-15-9-5-4-8-14(15)17;/h4-5,8-9,13H,2-3,6-7,10-12,18H2,1H3,(H,19,20);1H
InChIKeyQHPNVSGXADMKKX-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 53.55
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-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552
N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119588775
N-(1-aminohexan-2-yl)-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119667896
N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
CID 119664799
N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119664901
2-[4-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119223409
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
CID 119617753
N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
CID 119665882
N-(1-aminohexan-2-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 119666910
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
N-(1-aminohexan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119666599

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride (CID 119668746) is N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride is CCCCC(CN)NC(=O)CCCOc1ccccc1Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride?
The InChIKey is QHPNVSGXADMKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2.ClH/c1-2-3-7-13(12-18)19-16(20)10-6-11-21-15-9-5-4-8-14(15)17;/h4-5,8-9,13H,2-3,6-7,10-12,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride has a molecular weight of 349.30 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119668746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).