(4-acetylphenyl) carbamate;ethane

C11H15NO3 — CID 163253714

IUPAC(4-acetylphenyl) carbamate;ethane
SMILESCC.CC(=O)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C9H9NO3.C2H6/c1-6(11)7-2-4-8(5-3-7)13-9(10)12;1-2/h2-5H,1H3,(H2,10,12);1-2H3
InChIKeyDTNFKVNCZRZOQY-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.37
Rot. Bonds2

About (4-acetylphenyl) carbamate;ethane

(4-acetylphenyl) carbamate;ethane (PubChem CID 163253714) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (4-acetylphenyl) carbamate;ethane.

Molecular Properties

Compound Name(4-acetylphenyl) carbamate;ethane
PubChem CID163253714
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(4-acetylphenyl) carbamate;ethane
SMILESCC.CC(=O)c1ccc(OC(N)=O)cc1
InChIInChI=1S/C9H9NO3.C2H6/c1-6(11)7-2-4-8(5-3-7)13-9(10)12;1-2/h2-5H,1H3,(H2,10,12);1-2H3
InChIKeyDTNFKVNCZRZOQY-UHFFFAOYSA-N
XLogP2.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylcarbamoyl)phenyl] carbamate
CID 20789580
[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
[4-(2-chloroacetyl)phenyl] carbamate
CID 118695962
1-(4-sulfanyloxyphenyl)ethanone
CID 87171019
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-(4-acetylphenyl)ethanone;methane
CID 159515104
(4-propan-2-ylphenyl) carbamate
CID 57008477
(4-ethylphenyl) carbamate
CID 1269945
(4-acetylphenyl) 3-acetylbenzoate
CID 58763507
O-[4-(4-acetylphenyl)phenyl] N,N-dimethylcarbamothioate
CID 12851395
(4-acetylphenyl) but-3-enoate
CID 139889155
[4-(4-acetylphenoxy)phenyl]urea
CID 57193509

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) carbamate;ethane?
The IUPAC name of (4-acetylphenyl) carbamate;ethane (CID 163253714) is (4-acetylphenyl) carbamate;ethane.
What is the SMILES notation for (4-acetylphenyl) carbamate;ethane?
The canonical SMILES for (4-acetylphenyl) carbamate;ethane is CC.CC(=O)c1ccc(OC(N)=O)cc1.
What is the InChIKey of (4-acetylphenyl) carbamate;ethane?
The InChIKey is DTNFKVNCZRZOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.C2H6/c1-6(11)7-2-4-8(5-3-7)13-9(10)12;1-2/h2-5H,1H3,(H2,10,12);1-2H3.
What are the key properties of (4-acetylphenyl) carbamate;ethane?
(4-acetylphenyl) carbamate;ethane has a molecular weight of 209.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) carbamate;ethane is sourced from PubChem (CID 163253714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).