tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate

C17H24N2O3 — CID 14308232

IUPACtert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate
SMILESC=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H24N2O3/c1-5-11-18-15(20)14(12-13-9-7-6-8-10-13)19-16(21)22-17(2,3)4/h5-10,14H,1,11-12H2,2-4H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyCGOKANXAZNFJJW-AWEZNQCLSA-N
MW304.39 g/mol
LogP2.42
Rot. Bonds6

About tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate (PubChem CID 14308232) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate
PubChem CID14308232
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate
SMILESC=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H24N2O3/c1-5-11-18-15(20)14(12-13-9-7-6-8-10-13)19-16(21)22-17(2,3)4/h5-10,14H,1,11-12H2,2-4H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyCGOKANXAZNFJJW-AWEZNQCLSA-N
XLogP2.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate (CID 14308232) is tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate is C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate?
The InChIKey is CGOKANXAZNFJJW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-11-18-15(20)14(12-13-9-7-6-8-10-13)19-16(21)22-17(2,3)4/h5-10,14H,1,11-12H2,2-4H3,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]carbamate is sourced from PubChem (CID 14308232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).