tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate

C15H22N2O3 — CID 15675079

IUPACtert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate
SMILESCOc1ccc(/N=C/[C@H](C)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(17-14(18)20-15(2,3)4)10-16-12-6-8-13(19-5)9-7-12/h6-11H,1-5H3,(H,17,18)/b16-10+/t11-/m0/s1
InChIKeyKKTIMNIFAVWFRY-YAFRSCOQSA-N
MW278.35 g/mol
LogP3.31
Rot. Bonds4

About tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate (PubChem CID 15675079) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate
PubChem CID15675079
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate
SMILESCOc1ccc(/N=C/[C@H](C)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(17-14(18)20-15(2,3)4)10-16-12-6-8-13(19-5)9-7-12/h6-11H,1-5H3,(H,17,18)/b16-10+/t11-/m0/s1
InChIKeyKKTIMNIFAVWFRY-YAFRSCOQSA-N
XLogP3.31
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-1-(4-methoxyphenyl)imino-3-methylbutan-2-yl]carbamate
CID 15675085
tert-butyl 2-(4-methoxyphenyl)iminoacetate
CID 10879093
tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
tert-butyl N-[(1Z,2S)-1-hydroxyiminopropan-2-yl]carbamate
CID 45091861
tert-butyl N-[(2S)-1-hydroxy-1,1-bis(4-methoxyphenyl)-3-methylbutan-2-yl]carbamate
CID 10070458
(2S,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 14110515
(2R)-4-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 71508449
tert-butyl N-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-methylbutan-2-yl]carbamate
CID 10544071
tert-butyl N-[1-(4-methoxyphenyl)-4-oxobutan-2-yl]carbamate
CID 73030796
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138474448
tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
CID 63790271
tert-butyl N-[4-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 87243674

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate (CID 15675079) is tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate is COc1ccc(/N=C/[C@H](C)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate?
The InChIKey is KKTIMNIFAVWFRY-YAFRSCOQSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(17-14(18)20-15(2,3)4)10-16-12-6-8-13(19-5)9-7-12/h6-11H,1-5H3,(H,17,18)/b16-10+/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate is sourced from PubChem (CID 15675079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).