7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride

C16H27ClN2O2 — CID 119714847

IUPAC7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
SMILESCC(C)Oc1ccccc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(2)20-15-10-7-6-9-14(15)18-16(19)11-5-3-4-8-12-17;/h6-7,9-10,13H,3-5,8,11-12,17H2,1-2H3,(H,18,19);1H
InChIKeyMARYUNUTUSGVAF-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.74
Rot. Bonds9

About 7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride

7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride (PubChem CID 119714847) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
PubChem CID119714847
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
SMILESCC(C)Oc1ccccc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(2)20-15-10-7-6-9-14(15)18-16(19)11-5-3-4-8-12-17;/h6-7,9-10,13H,3-5,8,11-12,17H2,1-2H3,(H,18,19);1H
InChIKeyMARYUNUTUSGVAF-UHFFFAOYSA-N
XLogP3.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.74
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

7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride
CID 120608791
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982
6-amino-N-(2-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 60926923
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride (CID 119714847) is 7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride is CC(C)Oc1ccccc1NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride?
The InChIKey is MARYUNUTUSGVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-13(2)20-15-10-7-6-9-14(15)18-16(19)11-5-3-4-8-12-17;/h6-7,9-10,13H,3-5,8,11-12,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride?
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride is sourced from PubChem (CID 119714847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).