(3-acetamido-3-methyl-5-phenylpentyl) acetate

C16H23NO3 — CID 10683940

IUPAC(3-acetamido-3-methyl-5-phenylpentyl) acetate
SMILESCC(=O)NC(C)(CCOC(C)=O)CCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-13(18)17-16(3,11-12-20-14(2)19)10-9-15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3,(H,17,18)
InChIKeyUJMBCPIWVXDOKK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds7

About (3-acetamido-3-methyl-5-phenylpentyl) acetate

(3-acetamido-3-methyl-5-phenylpentyl) acetate (PubChem CID 10683940) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (3-acetamido-3-methyl-5-phenylpentyl) acetate.

Molecular Properties

Compound Name(3-acetamido-3-methyl-5-phenylpentyl) acetate
PubChem CID10683940
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(3-acetamido-3-methyl-5-phenylpentyl) acetate
SMILESCC(=O)NC(C)(CCOC(C)=O)CCc1ccccc1
InChIInChI=1S/C16H23NO3/c1-13(18)17-16(3,11-12-20-14(2)19)10-9-15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3,(H,17,18)
InChIKeyUJMBCPIWVXDOKK-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-acetamido-3-methyl-5-(4-octylphenyl)pentyl] acetate
CID 10786582
(3-hydroxy-3-methyl-5-phenylpentyl) acetate
CID 14382134
2-methyl-4-phenylbutan-2-ol;2-phenylethyl acetate
CID 71092180
2-phenylethyl acetate
CID 7654
acetic acid;2-phenylethyl acetate
CID 174791962
[2-acetamido-2-(acetyloxymethyl)-4-[4-(4-phenylbutyl)phenyl]butyl] acetate
CID 143349457
[(2R)-2-acetamido-2-methyl-4-[1-methyl-5-(5-phenylpent-1-ynyl)pyrrol-2-yl]butyl] acetate
CID 66672612
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
3-methyl-3-(methylamino)-5-phenylpentanamide
CID 65236751
[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate
CID 102595123
N-(1-cyano-1-hydroxy-3-phenylpropyl)acetamide
CID 141033040
[(2R)-2-acetamido-2-methyl-4-(1-methylpyrrol-2-yl)butyl] acetate
CID 66672660

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-3-methyl-5-phenylpentyl) acetate?
The IUPAC name of (3-acetamido-3-methyl-5-phenylpentyl) acetate (CID 10683940) is (3-acetamido-3-methyl-5-phenylpentyl) acetate.
What is the SMILES notation for (3-acetamido-3-methyl-5-phenylpentyl) acetate?
The canonical SMILES for (3-acetamido-3-methyl-5-phenylpentyl) acetate is CC(=O)NC(C)(CCOC(C)=O)CCc1ccccc1.
What is the InChIKey of (3-acetamido-3-methyl-5-phenylpentyl) acetate?
The InChIKey is UJMBCPIWVXDOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(18)17-16(3,11-12-20-14(2)19)10-9-15-7-5-4-6-8-15/h4-8H,9-12H2,1-3H3,(H,17,18).
What are the key properties of (3-acetamido-3-methyl-5-phenylpentyl) acetate?
(3-acetamido-3-methyl-5-phenylpentyl) acetate has a molecular weight of 277.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-3-methyl-5-phenylpentyl) acetate is sourced from PubChem (CID 10683940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).