(1-acetamido-1,5-diphenylpentan-3-yl) acetate

C21H25NO3 — CID 101129152

IUPAC(1-acetamido-1,5-diphenylpentan-3-yl) acetate
SMILESCC(=O)NC(CC(CCc1ccccc1)OC(C)=O)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-16(23)22-21(19-11-7-4-8-12-19)15-20(25-17(2)24)14-13-18-9-5-3-6-10-18/h3-12,20-21H,13-15H2,1-2H3,(H,22,23)
InChIKeyQRAMLYAWNNJJPL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.82
Rot. Bonds8

About (1-acetamido-1,5-diphenylpentan-3-yl) acetate

(1-acetamido-1,5-diphenylpentan-3-yl) acetate (PubChem CID 101129152) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (1-acetamido-1,5-diphenylpentan-3-yl) acetate.

Molecular Properties

Compound Name(1-acetamido-1,5-diphenylpentan-3-yl) acetate
PubChem CID101129152
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(1-acetamido-1,5-diphenylpentan-3-yl) acetate
SMILESCC(=O)NC(CC(CCc1ccccc1)OC(C)=O)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-16(23)22-21(19-11-7-4-8-12-19)15-20(25-17(2)24)14-13-18-9-5-3-6-10-18/h3-12,20-21H,13-15H2,1-2H3,(H,22,23)
InChIKeyQRAMLYAWNNJJPL-UHFFFAOYSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-acetyloxy-4-phenylbutyl) acetate
CID 15049204
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(9-hydroxy-1-phenylnonan-3-yl) acetate
CID 10850236
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
N-(2-benzylsulfanyl-1-phenylethyl)acetamide
CID 13447277
N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
[(Z)-5-acetyloxy-2-methyl-7-phenylhept-2-enyl] acetate
CID 10566425
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
(2S)-2-acetamido-4-phenylbutanoate
CID 86308206
CID 57067406
CID 57067406
2-acetamido-4-phenylbutanamide
CID 67451841

Frequently Asked Questions

What is the IUPAC name of (1-acetamido-1,5-diphenylpentan-3-yl) acetate?
The IUPAC name of (1-acetamido-1,5-diphenylpentan-3-yl) acetate (CID 101129152) is (1-acetamido-1,5-diphenylpentan-3-yl) acetate.
What is the SMILES notation for (1-acetamido-1,5-diphenylpentan-3-yl) acetate?
The canonical SMILES for (1-acetamido-1,5-diphenylpentan-3-yl) acetate is CC(=O)NC(CC(CCc1ccccc1)OC(C)=O)c1ccccc1.
What is the InChIKey of (1-acetamido-1,5-diphenylpentan-3-yl) acetate?
The InChIKey is QRAMLYAWNNJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16(23)22-21(19-11-7-4-8-12-19)15-20(25-17(2)24)14-13-18-9-5-3-6-10-18/h3-12,20-21H,13-15H2,1-2H3,(H,22,23).
What are the key properties of (1-acetamido-1,5-diphenylpentan-3-yl) acetate?
(1-acetamido-1,5-diphenylpentan-3-yl) acetate has a molecular weight of 339.44 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetamido-1,5-diphenylpentan-3-yl) acetate is sourced from PubChem (CID 101129152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).