10-morpholin-4-yldecyl 2,2-diphenylacetate

C28H39NO3 — CID 97355396

IUPAC10-morpholin-4-yldecyl 2,2-diphenylacetate
SMILESO=C(OCCCCCCCCCCN1CCOCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H39NO3/c30-28(27(25-15-9-7-10-16-25)26-17-11-8-12-18-26)32-22-14-6-4-2-1-3-5-13-19-29-20-23-31-24-21-29/h7-12,15-18,27H,1-6,13-14,19-24H2
InChIKeyMXXMIANHNIOAMY-UHFFFAOYSA-N
MW437.62 g/mol
LogP5.81
Rot. Bonds14

About 10-morpholin-4-yldecyl 2,2-diphenylacetate

10-morpholin-4-yldecyl 2,2-diphenylacetate (PubChem CID 97355396) has the molecular formula C28H39NO3 and a molecular weight of 437.62 g/mol. Its IUPAC name is 10-morpholin-4-yldecyl 2,2-diphenylacetate.

Molecular Properties

Compound Name10-morpholin-4-yldecyl 2,2-diphenylacetate
PubChem CID97355396
Molecular FormulaC28H39NO3
Molecular Weight437.62 g/mol
Exact Mass437.29
IUPAC Name10-morpholin-4-yldecyl 2,2-diphenylacetate
SMILESO=C(OCCCCCCCCCCN1CCOCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H39NO3/c30-28(27(25-15-9-7-10-16-25)26-17-11-8-12-18-26)32-22-14-6-4-2-1-3-5-13-19-29-20-23-31-24-21-29/h7-12,15-18,27H,1-6,13-14,19-24H2
InChIKeyMXXMIANHNIOAMY-UHFFFAOYSA-N
XLogP5.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.62
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
CID 162508627
2-morpholin-4-ylethyl N-(2,2-diphenylacetyl)carbamate
CID 54336575
6-morpholin-4-yl-1,1-diphenylhexan-3-one
CID 159280130
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
4-(8-morpholin-4-yloctoxy)-4-oxobut-2-enoic acid
CID 154097579
1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
CID 67760616
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate
CID 24844455
(E)-4-(4-morpholin-4-ylbutoxy)-4-oxobut-2-enoic acid
CID 71711598

Frequently Asked Questions

What is the IUPAC name of 10-morpholin-4-yldecyl 2,2-diphenylacetate?
The IUPAC name of 10-morpholin-4-yldecyl 2,2-diphenylacetate (CID 97355396) is 10-morpholin-4-yldecyl 2,2-diphenylacetate.
What is the SMILES notation for 10-morpholin-4-yldecyl 2,2-diphenylacetate?
The canonical SMILES for 10-morpholin-4-yldecyl 2,2-diphenylacetate is O=C(OCCCCCCCCCCN1CCOCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-morpholin-4-yldecyl 2,2-diphenylacetate?
The InChIKey is MXXMIANHNIOAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO3/c30-28(27(25-15-9-7-10-16-25)26-17-11-8-12-18-26)32-22-14-6-4-2-1-3-5-13-19-29-20-23-31-24-21-29/h7-12,15-18,27H,1-6,13-14,19-24H2.
What are the key properties of 10-morpholin-4-yldecyl 2,2-diphenylacetate?
10-morpholin-4-yldecyl 2,2-diphenylacetate has a molecular weight of 437.62 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-morpholin-4-yldecyl 2,2-diphenylacetate is sourced from PubChem (CID 97355396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).