ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride

C15H23Cl3N2O3 — CID 12861514

IUPACethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1c(Cl)cc(C(O)CNC(C)(C)C)cc1Cl.Cl
InChIInChI=1S/C15H22Cl2N2O3.ClH/c1-5-22-14(21)19-13-10(16)6-9(7-11(13)17)12(20)8-18-15(2,3)4;/h6-7,12,18,20H,5,8H2,1-4H3,(H,19,21);1H
InChIKeyMRROOBPZTLTCRT-UHFFFAOYSA-N
MW385.72 g/mol
LogP4.41
Rot. Bonds5

About ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride

ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride (PubChem CID 12861514) has the molecular formula C15H23Cl3N2O3 and a molecular weight of 385.72 g/mol. Its IUPAC name is ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride
PubChem CID12861514
Molecular FormulaC15H23Cl3N2O3
Molecular Weight385.72 g/mol
Exact Mass384.08
IUPAC Nameethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1c(Cl)cc(C(O)CNC(C)(C)C)cc1Cl.Cl
InChIInChI=1S/C15H22Cl2N2O3.ClH/c1-5-22-14(21)19-13-10(16)6-9(7-11(13)17)12(20)8-18-15(2,3)4;/h6-7,12,18,20H,5,8H2,1-4H3,(H,19,21);1H
InChIKeyMRROOBPZTLTCRT-UHFFFAOYSA-N
XLogP4.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.72
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]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

1-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]-3-phenylurea
CID 12861527
methyl N-[2,6-dibromo-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl]carbamate
CID 12861510
4-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichloroanilino]butanoic acid
CID 52933040
[1-(4-acetamido-3,5-dichlorophenyl)-2-(tert-butylamino)ethyl] acetate;ethanol
CID 70405395
1-(4-amino-3-chloro-5-nitrophenyl)-2-(tert-butylamino)ethanol;hydrochloride
CID 3027608
ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate
CID 54000840
6-[2-(tert-butylamino)-1-hydroxyethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 70510329
N-[2,6-dichloro-4-[2-(diethylamino)-1-hydroxyethyl]phenyl]acetamide
CID 163984215
[3-(tert-butylamino)-2-hydroxypropyl] 4-(ethoxycarbonylamino)benzoate
CID 11782719
ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride
CID 15566893
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-[3,5-bis(sulfanyl)phenyl]-2-(tert-butylamino)ethanol
CID 165378100

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride (CID 12861514) is ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride is CCOC(=O)Nc1c(Cl)cc(C(O)CNC(C)(C)C)cc1Cl.Cl.
What is the InChIKey of ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride?
The InChIKey is MRROOBPZTLTCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3.ClH/c1-5-22-14(21)19-13-10(16)6-9(7-11(13)17)12(20)8-18-15(2,3)4;/h6-7,12,18,20H,5,8H2,1-4H3,(H,19,21);1H.
What are the key properties of ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride?
ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride has a molecular weight of 385.72 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride is sourced from PubChem (CID 12861514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).