phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide

C24H42BrNO2 — CID 173463379

IUPACphenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide
SMILESBr.CCCCCCCCCCC(CCCC(=O)Oc1ccccc1)C(C)(C)N
InChIInChI=1S/C24H41NO2.BrH/c1-4-5-6-7-8-9-10-12-16-21(24(2,3)25)17-15-20-23(26)27-22-18-13-11-14-19-22;/h11,13-14,18-19,21H,4-10,12,15-17,20,25H2,1-3H3;1H
InChIKeyOYXOWEVCRLBUMN-UHFFFAOYSA-N
MW456.51 g/mol
LogP7.22
Rot. Bonds15

About phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide

phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide (PubChem CID 173463379) has the molecular formula C24H42BrNO2 and a molecular weight of 456.51 g/mol. Its IUPAC name is phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide.

Molecular Properties

Compound Namephenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide
PubChem CID173463379
Molecular FormulaC24H42BrNO2
Molecular Weight456.51 g/mol
Exact Mass455.24
IUPAC Namephenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide
SMILESBr.CCCCCCCCCCC(CCCC(=O)Oc1ccccc1)C(C)(C)N
InChIInChI=1S/C24H41NO2.BrH/c1-4-5-6-7-8-9-10-12-16-21(24(2,3)25)17-15-20-23(26)27-22-18-13-11-14-19-22;/h11,13-14,18-19,21H,4-10,12,15-17,20,25H2,1-3H3;1H
InChIKeyOYXOWEVCRLBUMN-UHFFFAOYSA-N
XLogP7.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 57.22
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'}

Analyze phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873
alumane;phenyl octadecanoate
CID 173442753
mercury;phenyl octadecanoate
CID 158061503
phenyl 4-hexyldodecanoate
CID 130176668
5-O-phenyl 1-O-(2,2,2-trifluoroethyl) 2-heptylpentanedioate
CID 150281459
6-O-phenyl 1-O-undecyl hexanedioate
CID 91713633
phenyl butanoate;bis(2-sulfanyldecanoic acid)
CID 174299945
phenyl 2-ethyloctanoate
CID 54211656

Frequently Asked Questions

What is the IUPAC name of phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide?
The IUPAC name of phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide (CID 173463379) is phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide.
What is the SMILES notation for phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide?
The canonical SMILES for phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide is Br.CCCCCCCCCCC(CCCC(=O)Oc1ccccc1)C(C)(C)N.
What is the InChIKey of phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide?
The InChIKey is OYXOWEVCRLBUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2.BrH/c1-4-5-6-7-8-9-10-12-16-21(24(2,3)25)17-15-20-23(26)27-22-18-13-11-14-19-22;/h11,13-14,18-19,21H,4-10,12,15-17,20,25H2,1-3H3;1H.
What are the key properties of phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide?
phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide has a molecular weight of 456.51 g/mol, XLogP of 7.22, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-(2-aminopropan-2-yl)pentadecanoate;hydrobromide is sourced from PubChem (CID 173463379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).