7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride

C14H23ClN2O2 — CID 119670519

IUPAC7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
SMILESCOc1ccccc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-18-13-9-6-5-8-12(13)16-14(17)10-4-2-3-7-11-15;/h5-6,8-9H,2-4,7,10-11,15H2,1H3,(H,16,17);1H
InChIKeyXLUOKRMSXZREMD-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.96
Rot. Bonds8

About 7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride

7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride (PubChem CID 119670519) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
PubChem CID119670519
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
SMILESCOc1ccccc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-18-13-9-6-5-8-12(13)16-14(17)10-4-2-3-7-11-15;/h5-6,8-9H,2-4,7,10-11,15H2,1H3,(H,16,17);1H
InChIKeyXLUOKRMSXZREMD-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.96
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-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
2-(3-aminopropoxy)-N-(2-methoxyphenyl)acetamide
CID 62343841
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
3-(7-aminoheptanoylamino)-4-methoxybenzoic acid
CID 63743950
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375
7-amino-N-(2-methoxy-3-pyridinyl)heptanamide
CID 43708890
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide
CID 119812850

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride (CID 119670519) is 7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride is COc1ccccc1NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride?
The InChIKey is XLUOKRMSXZREMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-18-13-9-6-5-8-12(13)16-14(17)10-4-2-3-7-11-15;/h5-6,8-9H,2-4,7,10-11,15H2,1H3,(H,16,17);1H.
What are the key properties of 7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride?
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride is sourced from PubChem (CID 119670519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).