tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate

C15H22N2O3 — CID 165343489

IUPACtert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate
SMILESC[C@@H](C=NNC(=O)OC(C)(C)C)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(19-11-13-8-6-5-7-9-13)10-16-17-14(18)20-15(2,3)4/h5-10,12H,11H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyOYWRCIVYKUKUTO-LBPRGKRZSA-N
MW278.35 g/mol
LogP3.10
Rot. Bonds5

About tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate

tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate (PubChem CID 165343489) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate
PubChem CID165343489
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate
SMILESC[C@@H](C=NNC(=O)OC(C)(C)C)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(19-11-13-8-6-5-7-9-13)10-16-17-14(18)20-15(2,3)4/h5-10,12H,11H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyOYWRCIVYKUKUTO-LBPRGKRZSA-N
XLogP3.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-phenyl-
CID 3064824
ethyl (E)-N-ethoxycarbonylbenzenecarbohydrazonate
CID 5466194
ethyl (Z)-N-ethoxycarbonylbenzenecarbohydrazonate
CID 5939274
(S)-[2-(Benzyloxy)propylidene]hydrazinecarboxaldehyde
CID 11095768
(S)-N'-(2-(Benzyloxy)propylidene)formohydrazide
CID 54011714
[3-(Isopropyl-hydrazono)-propyl]-carbamic acid benzyl ester
CID 54753829
Benzyl 2-(cyclohexanylidene)hydrazinecarboxylate
CID 67302752
Benzyl 2-(cycloheptanylidene)hydrazinecarboxylate
CID 67304031
Formaldehyde benzyl oxycarbonylhydrazone
CID 86139793
tert-butyl N-[(E)-[(6S)-6-(2,5-difluorophenyl)oxan-3-yl]methylideneamino]carbamate
CID 134575016
Hydrazinecarboxylic acid, (ethoxyphenylmethylene)-, ethyl ester
CID 387267
Benzyl 2-(propan-2-ylidene)hydrazinecarboxylate
CID 15732451

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate?
The IUPAC name of tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate (CID 165343489) is tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate?
The canonical SMILES for tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate is C[C@@H](C=NNC(=O)OC(C)(C)C)OCc1ccccc1.
What is the InChIKey of tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate?
The InChIKey is OYWRCIVYKUKUTO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(19-11-13-8-6-5-7-9-13)10-16-17-14(18)20-15(2,3)4/h5-10,12H,11H2,1-4H3,(H,17,18)/t12-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate?
tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate has a molecular weight of 278.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-2-phenylmethoxypropylidene]amino]carbamate is sourced from PubChem (CID 165343489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).