tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate

C20H29NO4 — CID 10665344

IUPACtert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(C[C@H](O)[C@@H](C=C)OCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H29NO4/c1-6-13-21(19(23)25-20(3,4)5)14-17(22)18(7-2)24-15-16-11-9-8-10-12-16/h6-12,17-18,22H,1-2,13-15H2,3-5H3/t17-,18+/m0/s1
InChIKeyFAIGYTIDZNIRJG-ZWKOTPCHSA-N
MW347.46 g/mol
LogP3.54
Rot. Bonds9

About tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate

tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate (PubChem CID 10665344) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate
PubChem CID10665344
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Nametert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(C[C@H](O)[C@@H](C=C)OCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H29NO4/c1-6-13-21(19(23)25-20(3,4)5)14-17(22)18(7-2)24-15-16-11-9-8-10-12-16/h6-12,17-18,22H,1-2,13-15H2,3-5H3/t17-,18+/m0/s1
InChIKeyFAIGYTIDZNIRJG-ZWKOTPCHSA-N
XLogP3.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate (CID 10665344) is tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate is C=CCN(C[C@H](O)[C@@H](C=C)OCc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate?
The InChIKey is FAIGYTIDZNIRJG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H29NO4/c1-6-13-21(19(23)25-20(3,4)5)14-17(22)18(7-2)24-15-16-11-9-8-10-12-16/h6-12,17-18,22H,1-2,13-15H2,3-5H3/t17-,18+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate?
tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate has a molecular weight of 347.46 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-2-hydroxy-3-phenylmethoxypent-4-enyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 10665344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).