tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate

C23H29NO3 — CID 10883094

IUPACtert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate
SMILESC=C[C@H](OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H29NO3/c1-5-21(26-17-19-14-10-7-11-15-19)20(16-18-12-8-6-9-13-18)24-22(25)27-23(2,3)4/h5-15,20-21H,1,16-17H2,2-4H3,(H,24,25)/t20-,21-/m0/s1
InChIKeyPOQMSSMVTGBJKU-SFTDATJTSA-N
MW367.49 g/mol
LogP4.89
Rot. Bonds8

About tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate

tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate (PubChem CID 10883094) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate
PubChem CID10883094
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Nametert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate
SMILESC=C[C@H](OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H29NO3/c1-5-21(26-17-19-14-10-7-11-15-19)20(16-18-12-8-6-9-13-18)24-22(25)27-23(2,3)4/h5-15,20-21H,1,16-17H2,2-4H3,(H,24,25)/t20-,21-/m0/s1
InChIKeyPOQMSSMVTGBJKU-SFTDATJTSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]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

Phenmetrazine
CID 4762
Phenmetrazine Hydrochloride
CID 92159
Enpromate
CID 24912
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
Benzyl 1-phenylethylcarbamate
CID 9837961
Ethyl ((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)acetate
CID 381816
Ethyl ((benzyloxy)carbonyl)-L-phenylalanylglycinate
CID 12628842
Alanine, N-benzyloxycarbonyl-3-phenyl-, cyanomethyl ester, L-
CID 24313
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
5-Methyl-6-phenyl-3-morpholinone
CID 21789

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate (CID 10883094) is tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate is C=C[C@H](OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate?
The InChIKey is POQMSSMVTGBJKU-SFTDATJTSA-N. The full InChI is InChI=1S/C23H29NO3/c1-5-21(26-17-19-14-10-7-11-15-19)20(16-18-12-8-6-9-13-18)24-22(25)27-23(2,3)4/h5-15,20-21H,1,16-17H2,2-4H3,(H,24,25)/t20-,21-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate?
tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate has a molecular weight of 367.49 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate is sourced from PubChem (CID 10883094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).