tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate

C20H34N2O3 — CID 67296648

IUPACtert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate
SMILESCCC(CC)CNc1cccc(C(O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H34N2O3/c1-6-15(7-2)14-22-17-10-8-9-16(13-17)18(23)11-12-21-19(24)25-20(3,4)5/h8-10,13,15,18,22-23H,6-7,11-12,14H2,1-5H3,(H,21,24)
InChIKeyVCFDGHFWMJZEJS-UHFFFAOYSA-N
MW350.50 g/mol
LogP4.48
Rot. Bonds9

About tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate

tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate (PubChem CID 67296648) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate
PubChem CID67296648
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Nametert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate
SMILESCCC(CC)CNc1cccc(C(O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H34N2O3/c1-6-15(7-2)14-22-17-10-8-9-16(13-17)18(23)11-12-21-19(24)25-20(3,4)5/h8-10,13,15,18,22-23H,6-7,11-12,14H2,1-5H3,(H,21,24)
InChIKeyVCFDGHFWMJZEJS-UHFFFAOYSA-N
XLogP4.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate 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

tert-butyl N-[3-[3-(heptan-4-ylsulfonylamino)phenyl]-3-hydroxypropyl]carbamate
CID 67296362
tert-butyl N-[3-hydroxy-3-[3-(2-phenylethylsulfanyl)phenyl]propyl]carbamate
CID 67130399
tert-butyl N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]carbamate
CID 99867079
tert-butyl N-[3-hydroxy-3-[3-(2-pyridin-3-ylethynyl)phenyl]propyl]carbamate
CID 140653254
CID 174604902
CID 174604902
tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539760
tert-butyl N-[3-hydroxy-3-[3-[2-(1-hydroxycyclobutyl)ethynyl]phenyl]propyl]carbamate
CID 66629363
[3-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]-(3-phenylpropyl)carbamic acid
CID 67299136
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
tert-butyl N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamate;tert-butyl N-[3-hydroxy-3-(3-methylphenyl)propyl]carbamate;tert-butyl N-[3-(3-hydroxyphenyl)-3-oxopropyl]carbamate;tert-butyl N-[3-(3-methylphenyl)-3-oxopropyl]carbamate
CID 159118729
tert-butyl N-(cyclohexylmethyl)-N-[3-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamate
CID 91141111
tert-butyl N-(cyclohexylmethyl)-N-[3-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamate
CID 86641455

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate (CID 67296648) is tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate is CCC(CC)CNc1cccc(C(O)CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate?
The InChIKey is VCFDGHFWMJZEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-6-15(7-2)14-22-17-10-8-9-16(13-17)18(23)11-12-21-19(24)25-20(3,4)5/h8-10,13,15,18,22-23H,6-7,11-12,14H2,1-5H3,(H,21,24).
What are the key properties of tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate?
tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate has a molecular weight of 350.50 g/mol, XLogP of 4.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-(2-ethylbutylamino)phenyl]-3-hydroxypropyl]carbamate is sourced from PubChem (CID 67296648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).