butylbenzene;ethyl carbamate

C13H21NO2 — CID 175305774

IUPACbutylbenzene;ethyl carbamate
SMILESCCCCc1ccccc1.CCOC(N)=O
InChIInChI=1S/C10H14.C3H7NO2/c1-2-3-7-10-8-5-4-6-9-10;1-2-6-3(4)5/h4-6,8-9H,2-3,7H2,1H3;2H2,1H3,(H2,4,5)
InChIKeyHOXZMBSWIFWACZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.13
Rot. Bonds4

About butylbenzene;ethyl carbamate

butylbenzene;ethyl carbamate (PubChem CID 175305774) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is butylbenzene;ethyl carbamate.

Molecular Properties

Compound Namebutylbenzene;ethyl carbamate
PubChem CID175305774
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namebutylbenzene;ethyl carbamate
SMILESCCCCc1ccccc1.CCOC(N)=O
InChIInChI=1S/C10H14.C3H7NO2/c1-2-3-7-10-8-5-4-6-9-10;1-2-6-3(4)5/h4-6,8-9H,2-3,7H2,1H3;2H2,1H3,(H2,4,5)
InChIKeyHOXZMBSWIFWACZ-UHFFFAOYSA-N
XLogP3.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butylbenzene;carbonic acid
CID 158278492
butylbenzene;hydroxylamine
CID 175142403
ethyl carbamate;2-phenylacetic acid
CID 153376104
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CID 157127683
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
8-phenyloctyl carbamate
CID 67180735
butylbenzene;propylbenzene
CID 142022125
benzene;ethyl acetate;3-phenylpropan-1-ol
CID 158644115
ethyl 2-acetyl-5-phenylpentanoate
CID 14921745
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
acetamide;propylbenzene
CID 142238516
heptyl 7-phenylheptyl carbonate
CID 67251382

Frequently Asked Questions

What is the IUPAC name of butylbenzene;ethyl carbamate?
The IUPAC name of butylbenzene;ethyl carbamate (CID 175305774) is butylbenzene;ethyl carbamate.
What is the SMILES notation for butylbenzene;ethyl carbamate?
The canonical SMILES for butylbenzene;ethyl carbamate is CCCCc1ccccc1.CCOC(N)=O.
What is the InChIKey of butylbenzene;ethyl carbamate?
The InChIKey is HOXZMBSWIFWACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C3H7NO2/c1-2-3-7-10-8-5-4-6-9-10;1-2-6-3(4)5/h4-6,8-9H,2-3,7H2,1H3;2H2,1H3,(H2,4,5).
What are the key properties of butylbenzene;ethyl carbamate?
butylbenzene;ethyl carbamate has a molecular weight of 223.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylbenzene;ethyl carbamate is sourced from PubChem (CID 175305774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).