ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride

C16H27ClN2O4 — CID 15566893

IUPACethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccccc1OCC(O)CNC(C)(C)C.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-5-21-15(20)18-13-8-6-7-9-14(13)22-11-12(19)10-17-16(2,3)4;/h6-9,12,17,19H,5,10-11H2,1-4H3,(H,18,20);1H
InChIKeyGXIMLHZYGZLNNA-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.80
Rot. Bonds7

About ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride

ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride (PubChem CID 15566893) has the molecular formula C16H27ClN2O4 and a molecular weight of 346.86 g/mol. Its IUPAC name is ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride
PubChem CID15566893
Molecular FormulaC16H27ClN2O4
Molecular Weight346.86 g/mol
Exact Mass346.17
IUPAC Nameethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride
SMILESCCOC(=O)Nc1ccccc1OCC(O)CNC(C)(C)C.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-5-21-15(20)18-13-8-6-7-9-14(13)22-11-12(19)10-17-16(2,3)4;/h6-9,12,17,19H,5,10-11H2,1-4H3,(H,18,20);1H
InChIKeyGXIMLHZYGZLNNA-UHFFFAOYSA-N
XLogP2.80
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]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

(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
butyl N-[2-[3-(ethylamino)-2-hydroxypropoxy]phenyl]carbamate
CID 15170071
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
[3-(tert-butylamino)-2-hydroxypropyl] 4-(ethoxycarbonylamino)benzoate
CID 11782719
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879
2-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile;hydrochloride
CID 76967522
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]butan-1-one;oxalic acid
CID 117068857
1-(tert-butylamino)-3-(2-nitrophenoxy)propan-2-ol
CID 14689265
ethyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-[(2-chlorobenzoyl)amino]benzoate
CID 13473046
methyl 2-[3-[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]-2-hydroxypropoxy]benzoate
CID 13040919
1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride?
The IUPAC name of ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride (CID 15566893) is ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride is CCOC(=O)Nc1ccccc1OCC(O)CNC(C)(C)C.Cl.
What is the InChIKey of ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride?
The InChIKey is GXIMLHZYGZLNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4.ClH/c1-5-21-15(20)18-13-8-6-7-9-14(13)22-11-12(19)10-17-16(2,3)4;/h6-9,12,17,19H,5,10-11H2,1-4H3,(H,18,20);1H.
What are the key properties of ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride?
ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate;hydrochloride is sourced from PubChem (CID 15566893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).