ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride

C15H25ClN2O2 — CID 20975759

IUPACethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccccc1CCN(CC)CC.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-17(5-2)12-11-13-9-7-8-10-14(13)16-15(18)19-6-3;/h7-10H,4-6,11-12H2,1-3H3,(H,16,18);1H
InChIKeyCDEBDVSUVGRLLQ-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.56
Rot. Bonds7

About ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride

ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride (PubChem CID 20975759) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride
PubChem CID20975759
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Nameethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccccc1CCN(CC)CC.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-17(5-2)12-11-13-9-7-8-10-14(13)16-15(18)19-6-3;/h7-10H,4-6,11-12H2,1-3H3,(H,16,18);1H
InChIKeyCDEBDVSUVGRLLQ-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[2-(diethylaminomethyl)phenyl]carbamate
CID 61215408
2-(diethylamino)ethyl N-(2-phenylphenyl)carbamate
CID 24836570
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
3-[2-(butoxycarbonylamino)phenyl]propanoic acid
CID 70037125
ethane;N-(2-propylphenyl)acetamide
CID 142804217
prop-2-ynyl N-(2-ethylphenyl)carbamate
CID 91733300
ethyl (E)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pent-2-enoate
CID 11267155
benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate
CID 70462844
2-[[2-(dimethylamino)phenyl]carbamoyloxy]ethyl N-[2-(dimethylamino)phenyl]carbamate;hydrochloride
CID 54599742
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate
CID 10664593

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride (CID 20975759) is ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride is CCOC(=O)Nc1ccccc1CCN(CC)CC.Cl.
What is the InChIKey of ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride?
The InChIKey is CDEBDVSUVGRLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-4-17(5-2)12-11-13-9-7-8-10-14(13)16-15(18)19-6-3;/h7-10H,4-6,11-12H2,1-3H3,(H,16,18);1H.
What are the key properties of ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride?
ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride is sourced from PubChem (CID 20975759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).