5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate

C24H30N2O2 — CID 155222274

IUPAC5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate
SMILESNCC(N)C(=O)OCCCCCc1ccc2c(c1)C=C(c1ccccc1)CC2
InChIInChI=1S/C24H30N2O2/c25-17-23(26)24(27)28-14-6-2-3-7-18-10-11-20-12-13-21(16-22(20)15-18)19-8-4-1-5-9-19/h1,4-5,8-11,15-16,23H,2-3,6-7,12-14,17,25-26H2
InChIKeyWCSPLURUOVPYOL-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.72
Rot. Bonds9

About 5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate

5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate (PubChem CID 155222274) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate.

Molecular Properties

Compound Name5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate
PubChem CID155222274
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate
SMILESNCC(N)C(=O)OCCCCCc1ccc2c(c1)C=C(c1ccccc1)CC2
InChIInChI=1S/C24H30N2O2/c25-17-23(26)24(27)28-14-6-2-3-7-18-10-11-20-12-13-21(16-22(20)15-18)19-8-4-1-5-9-19/h1,4-5,8-11,15-16,23H,2-3,6-7,12-14,17,25-26H2
InChIKeyWCSPLURUOVPYOL-UHFFFAOYSA-N
XLogP3.72
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(7-phenyl-5,6-dihydronaphthalen-2-yl)propyl 2,3-diaminopropanoate
CID 155222266
6-(7-phenyl-5,6-dihydronaphthalen-2-yl)hexyl 2,2,3,5,5-pentamethylhexanoate
CID 155712315
3-[(6-phenyl-7,8-dihydronaphthalen-2-yl)oxy]propyl 2,3-diaminopropanoate
CID 155222302
3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-yl)oxy]propyl 2,3-diaminopropanoate
CID 155221970
6-[[7-[2-ethyl-4-(trifluoromethoxy)phenyl]-5,6-dihydronaphthalen-2-yl]oxy]hexyl 2,3-diaminopropanoate
CID 155222062
2-[2-[2-[(7-phenyl-5,6-dihydronaphthalen-1-yl)oxy]ethylsulfonyl]ethoxy]ethyl 2,3-diaminopropanoate
CID 155222284
4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)butyl acetate
CID 58389492
(2S)-2-amino-4-oxo-4-(5-phenylpentoxy)butanoic acid
CID 101180760
benzyl 2,3-diaminopropanoate
CID 19891176
3-(8-phenyloctyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 143940802
octyl 2-amino-4-phenylbutanoate
CID 3071082
heptyl (2S)-2-amino-4-phenylbutanoate
CID 104983534

Frequently Asked Questions

What is the IUPAC name of 5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate?
The IUPAC name of 5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate (CID 155222274) is 5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate.
What is the SMILES notation for 5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate?
The canonical SMILES for 5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate is NCC(N)C(=O)OCCCCCc1ccc2c(c1)C=C(c1ccccc1)CC2.
What is the InChIKey of 5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate?
The InChIKey is WCSPLURUOVPYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c25-17-23(26)24(27)28-14-6-2-3-7-18-10-11-20-12-13-21(16-22(20)15-18)19-8-4-1-5-9-19/h1,4-5,8-11,15-16,23H,2-3,6-7,12-14,17,25-26H2.
What are the key properties of 5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate?
5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate has a molecular weight of 378.52 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate is sourced from PubChem (CID 155222274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).