phenyl 11-amino-10-methylundecanoate;hydrochloride

C18H30ClNO2 — CID 174630388

IUPACphenyl 11-amino-10-methylundecanoate;hydrochloride
SMILESCC(CN)CCCCCCCCC(=O)Oc1ccccc1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-16(15-19)11-7-4-2-3-5-10-14-18(20)21-17-12-8-6-9-13-17;/h6,8-9,12-13,16H,2-5,7,10-11,14-15,19H2,1H3;1H
InChIKeyRIIKTBPOZOECGV-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.73
Rot. Bonds11

About phenyl 11-amino-10-methylundecanoate;hydrochloride

phenyl 11-amino-10-methylundecanoate;hydrochloride (PubChem CID 174630388) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is phenyl 11-amino-10-methylundecanoate;hydrochloride.

Molecular Properties

Compound Namephenyl 11-amino-10-methylundecanoate;hydrochloride
PubChem CID174630388
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Namephenyl 11-amino-10-methylundecanoate;hydrochloride
SMILESCC(CN)CCCCCCCCC(=O)Oc1ccccc1.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-16(15-19)11-7-4-2-3-5-10-14-18(20)21-17-12-8-6-9-13-17;/h6,8-9,12-13,16H,2-5,7,10-11,14-15,19H2,1H3;1H
InChIKeyRIIKTBPOZOECGV-UHFFFAOYSA-N
XLogP4.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl nonanedioate
CID 18428919
phenyl 6-aminohexanoate
CID 67610552
phenyl 3-methylundecanoate
CID 175110466
phenyl tridecanoate
CID 54389784
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873
59-oxo-59-phenoxynonapentacontanoic acid
CID 139682621
50-oxo-50-phenoxypentacontanoic acid
CID 139682644
phenyl 4-aminobutanoate
CID 54753951
52-oxo-52-phenoxydopentacontanoic acid
CID 139682709

Frequently Asked Questions

What is the IUPAC name of phenyl 11-amino-10-methylundecanoate;hydrochloride?
The IUPAC name of phenyl 11-amino-10-methylundecanoate;hydrochloride (CID 174630388) is phenyl 11-amino-10-methylundecanoate;hydrochloride.
What is the SMILES notation for phenyl 11-amino-10-methylundecanoate;hydrochloride?
The canonical SMILES for phenyl 11-amino-10-methylundecanoate;hydrochloride is CC(CN)CCCCCCCCC(=O)Oc1ccccc1.Cl.
What is the InChIKey of phenyl 11-amino-10-methylundecanoate;hydrochloride?
The InChIKey is RIIKTBPOZOECGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-16(15-19)11-7-4-2-3-5-10-14-18(20)21-17-12-8-6-9-13-17;/h6,8-9,12-13,16H,2-5,7,10-11,14-15,19H2,1H3;1H.
What are the key properties of phenyl 11-amino-10-methylundecanoate;hydrochloride?
phenyl 11-amino-10-methylundecanoate;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 4.73, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 11-amino-10-methylundecanoate;hydrochloride is sourced from PubChem (CID 174630388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).