tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate

C23H28N2O4 — CID 10715774

IUPACtert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate
SMILESCOc1ccc(N2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)24-20-19(15-10-16-8-6-5-7-9-16)25(21(20)26)17-11-13-18(28-4)14-12-17/h5-9,11-14,19-20H,10,15H2,1-4H3,(H,24,27)/t19-,20+/m1/s1
InChIKeyIAXJRIOJFSZDLS-UXHICEINSA-N
MW396.49 g/mol
LogP3.94
Rot. Bonds6

About tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate

tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate (PubChem CID 10715774) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate
PubChem CID10715774
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Nametert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate
SMILESCOc1ccc(N2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)24-20-19(15-10-16-8-6-5-7-9-16)25(21(20)26)17-11-13-18(28-4)14-12-17/h5-9,11-14,19-20H,10,15H2,1-4H3,(H,24,27)/t19-,20+/m1/s1
InChIKeyIAXJRIOJFSZDLS-UXHICEINSA-N
XLogP3.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1,3-bis(4-methoxyphenyl)-5-oxopyrrolidin-2-yl]carbamate
CID 175099449
tert-butyl N-[(1S,2S)-2-(2-phenylethyl)cyclopropyl]carbamate
CID 178006436
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988526
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
CID 22868936
tert-butyl N-[(3S,4S)-2-oxo-1-(2-phenylethyl)-4-propan-2-ylpyrrolidin-3-yl]carbamate
CID 67308091
tert-butyl (2R,3R,4S)-1-(4-methoxyphenyl)-3-methyl-4-phenyl-2-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyridine-6-carboxylate
CID 154717954
(3R,4S)-1-(4-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(3-phenylpropyl)azetidin-2-one
CID 10646916
tert-butyl N-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 146265928
(4-methoxyphenyl)methyl (6S)-3-(chloromethyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 67918108
tert-butyl N-[(1S)-1-[(2R,3S)-1-(4-fluorophenyl)-4-oxo-3-phenylmethoxyazetidin-2-yl]ethyl]carbamate
CID 10364462
tert-butyl N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-4-phenylbutan-2-yl]carbamate;molecular hydrogen
CID 144836107
tert-butyl N-[6-(4-methoxyphenyl)-4-oxo-1-phenylhexan-2-yl]carbamate
CID 175048380

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate (CID 10715774) is tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate is COc1ccc(N2C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CCc2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate?
The InChIKey is IAXJRIOJFSZDLS-UXHICEINSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)24-20-19(15-10-16-8-6-5-7-9-16)25(21(20)26)17-11-13-18(28-4)14-12-17/h5-9,11-14,19-20H,10,15H2,1-4H3,(H,24,27)/t19-,20+/m1/s1.
What are the key properties of tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate?
tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate has a molecular weight of 396.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 10715774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).