(2-ethylphenyl) N-propylcarbamate

C12H17NO2 — CID 127559161

IUPAC(2-ethylphenyl) N-propylcarbamate
SMILESCCCNC(=O)Oc1ccccc1CC
InChIInChI=1S/C12H17NO2/c1-3-9-13-12(14)15-11-8-6-5-7-10(11)4-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyDDKFYWRLWOVPIU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.75
Rot. Bonds4

About (2-ethylphenyl) N-propylcarbamate

(2-ethylphenyl) N-propylcarbamate (PubChem CID 127559161) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2-ethylphenyl) N-propylcarbamate.

Molecular Properties

Compound Name(2-ethylphenyl) N-propylcarbamate
PubChem CID127559161
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2-ethylphenyl) N-propylcarbamate
SMILESCCCNC(=O)Oc1ccccc1CC
InChIInChI=1S/C12H17NO2/c1-3-9-13-12(14)15-11-8-6-5-7-10(11)4-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyDDKFYWRLWOVPIU-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(chloromethyl)phenyl] N-ethylcarbamate
CID 175051095
(2-ethylphenyl) methyl carbonate
CID 67179071
[2-[2-(propylcarbamoyloxy)benzoyl]benzoyl] 2-[2-(propylcarbamoyloxy)benzoyl]benzenecarboperoxoate
CID 89287038
[2-(2-formylbenzoyl)phenyl] N-propylcarbamate
CID 123406138
(3-acetyl-2-bromophenyl) N-propylcarbamate
CID 175190417
(3,4-dimethoxynaphthalen-1-yl) N-propylcarbamate
CID 22367386
(2-methylphenyl) N-[6-[(2-methylphenoxy)carbonylamino]hexyl]carbamate
CID 4683579
ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
CID 108893525
bis(2-ethylphenyl) 2,2-dimethylpropanedioate
CID 91723973
(2-butylphenyl) (2-ethylphenyl) carbonate
CID 19107219
[2-[3-(octadecylamino)-3-oxopropyl]phenyl] N-[3-(dimethylamino)propyl]carbamate
CID 18520292
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl) N-propylcarbamate?
The IUPAC name of (2-ethylphenyl) N-propylcarbamate (CID 127559161) is (2-ethylphenyl) N-propylcarbamate.
What is the SMILES notation for (2-ethylphenyl) N-propylcarbamate?
The canonical SMILES for (2-ethylphenyl) N-propylcarbamate is CCCNC(=O)Oc1ccccc1CC.
What is the InChIKey of (2-ethylphenyl) N-propylcarbamate?
The InChIKey is DDKFYWRLWOVPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-13-12(14)15-11-8-6-5-7-10(11)4-2/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of (2-ethylphenyl) N-propylcarbamate?
(2-ethylphenyl) N-propylcarbamate has a molecular weight of 207.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl) N-propylcarbamate is sourced from PubChem (CID 127559161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).