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

C14H23ClN2O — CID 119670447

IUPAC7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
SMILESCc1ccccc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-12-8-5-6-9-13(12)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
InChIKeyDJRISJBYTYZUBE-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.26
Rot. Bonds7

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

7-amino-N-(2-methylphenyl)heptanamide;hydrochloride (PubChem CID 119670447) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 7-amino-N-(2-methylphenyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
PubChem CID119670447
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
SMILESCc1ccccc1NC(=O)CCCCCCN.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-12-8-5-6-9-13(12)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
InChIKeyDJRISJBYTYZUBE-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
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CID 43702694
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
CID 43710875
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
CID 119797982

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-methylphenyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(2-methylphenyl)heptanamide;hydrochloride (CID 119670447) is 7-amino-N-(2-methylphenyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(2-methylphenyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(2-methylphenyl)heptanamide;hydrochloride is Cc1ccccc1NC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-(2-methylphenyl)heptanamide;hydrochloride?
The InChIKey is DJRISJBYTYZUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-12-8-5-6-9-13(12)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-methylphenyl)heptanamide;hydrochloride?
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methylphenyl)heptanamide;hydrochloride is sourced from PubChem (CID 119670447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).