tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate

C26H29ClN2O3 — CID 151652416

IUPACtert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccc(-c2ccccc2Cl)cc1)C[C@H](O)c1cccnc1
InChIInChI=1S/C26H29ClN2O3/c1-26(2,3)32-25(31)29(18-24(30)21-7-6-15-28-17-21)16-14-19-10-12-20(13-11-19)22-8-4-5-9-23(22)27/h4-13,15,17,24,30H,14,16,18H2,1-3H3/t24-/m0/s1
InChIKeyQUUBUBZSHKXMBU-DEOSSOPVSA-N
MW452.98 g/mol
LogP5.92
Rot. Bonds7

About tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate

tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate (PubChem CID 151652416) has the molecular formula C26H29ClN2O3 and a molecular weight of 452.98 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
PubChem CID151652416
Molecular FormulaC26H29ClN2O3
Molecular Weight452.98 g/mol
Exact Mass452.19
IUPAC Nametert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccc(-c2ccccc2Cl)cc1)C[C@H](O)c1cccnc1
InChIInChI=1S/C26H29ClN2O3/c1-26(2,3)32-25(31)29(18-24(30)21-7-6-15-28-17-21)16-14-19-10-12-20(13-11-19)22-8-4-5-9-23(22)27/h4-13,15,17,24,30H,14,16,18H2,1-3H3/t24-/m0/s1
InChIKeyQUUBUBZSHKXMBU-DEOSSOPVSA-N
XLogP5.92
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.98
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]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-[2-[4-(4-formyl-3-phenoxyphenyl)phenyl]ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)carbamate
CID 22171568
2-[2-cyclohexyloxy-4-[4-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]phenyl]acetic acid
CID 69102980
tert-butyl N-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-[2-[4-[4-(2-hydroxyethyl)phenyl]sulfonylphenyl]ethyl]carbamate
CID 90940097
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[4-[[4-[4-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]phenyl]sulfonylamino]phenyl]ethyl]carbamate
CID 101066008
tert-butyl N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-N-[2-[4-(4-hydroxyphenyl)sulfanylphenyl]ethyl]carbamate
CID 69056377
[3-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]sulfonylphenyl] propanoate
CID 91265048
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[4-[[4-(4-octyl-1,3-thiazol-2-yl)phenyl]sulfonylamino]phenyl]ethyl]carbamate
CID 101066003
N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide
CID 169304212
methyl 6-[4-[2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]naphthalene-2-carboxylate
CID 67097732
2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
CID 69102888
4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
CID 69103273
methyl 4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-2-methoxyphenyl]benzoate
CID 24822315

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate (CID 151652416) is tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate is CC(C)(C)OC(=O)N(CCc1ccc(-c2ccccc2Cl)cc1)C[C@H](O)c1cccnc1.
What is the InChIKey of tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate?
The InChIKey is QUUBUBZSHKXMBU-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29ClN2O3/c1-26(2,3)32-25(31)29(18-24(30)21-7-6-15-28-17-21)16-14-19-10-12-20(13-11-19)22-8-4-5-9-23(22)27/h4-13,15,17,24,30H,14,16,18H2,1-3H3/t24-/m0/s1.
What are the key properties of tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate?
tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate has a molecular weight of 452.98 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate is sourced from PubChem (CID 151652416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).