(1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate

C23H29NO3 — CID 24840310

IUPAC(1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate
SMILESCCC(CCN1CCOCC1)(OC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-2-23(21-11-7-4-8-12-21,13-14-24-15-17-26-18-16-24)27-22(25)19-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3
InChIKeyREPLBSUHUCFHOQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.80
Rot. Bonds8

About (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate

(1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate (PubChem CID 24840310) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate.

Molecular Properties

Compound Name(1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate
PubChem CID24840310
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate
SMILESCCC(CCN1CCOCC1)(OC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-2-23(21-11-7-4-8-12-21,13-14-24-15-17-26-18-16-24)27-22(25)19-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3
InChIKeyREPLBSUHUCFHOQ-UHFFFAOYSA-N
XLogP3.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate
CID 3029446
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-ethyl-4-morpholin-4-yl-2-phenylbutanamide
CID 18114
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
S-(morpholin-4-ylmethyl) 2-phenylethanethioate
CID 24975270
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 7128599
methyl 2-amino-4-(1,4-oxazepan-4-yl)-2-phenylbutanoate
CID 116693847
4-morpholin-4-yl-3,3-diphenylbutan-2-one
CID 23423770
1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683
2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
CID 120595503
1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
CID 134093965

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate?
The IUPAC name of (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate (CID 24840310) is (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate.
What is the SMILES notation for (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate?
The canonical SMILES for (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate is CCC(CCN1CCOCC1)(OC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate?
The InChIKey is REPLBSUHUCFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-2-23(21-11-7-4-8-12-21,13-14-24-15-17-26-18-16-24)27-22(25)19-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3.
What are the key properties of (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate?
(1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate has a molecular weight of 367.49 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate is sourced from PubChem (CID 24840310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).