prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate

C16H22N2O3 — CID 25270369

IUPACprop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate
SMILESC=CCOC(=O)NC[C@@H](CNC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O3/c1-4-9-21-16(20)18-11-15(10-17-13(3)19)14-7-5-12(2)6-8-14/h4-8,15H,1,9-11H2,2-3H3,(H,17,19)(H,18,20)/t15-/m1/s1
InChIKeyKOAWQVBLKMVQCR-OAHLLOKOSA-N
MW290.36 g/mol
LogP2.13
Rot. Bonds7

About prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate

prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate (PubChem CID 25270369) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate
PubChem CID25270369
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameprop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate
SMILESC=CCOC(=O)NC[C@@H](CNC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O3/c1-4-9-21-16(20)18-11-15(10-17-13(3)19)14-7-5-12(2)6-8-14/h4-8,15H,1,9-11H2,2-3H3,(H,17,19)(H,18,20)/t15-/m1/s1
InChIKeyKOAWQVBLKMVQCR-OAHLLOKOSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.13
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 prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate?
The IUPAC name of prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate (CID 25270369) is prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate is C=CCOC(=O)NC[C@@H](CNC(C)=O)c1ccc(C)cc1.
What is the InChIKey of prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate?
The InChIKey is KOAWQVBLKMVQCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-9-21-16(20)18-11-15(10-17-13(3)19)14-7-5-12(2)6-8-14/h4-8,15H,1,9-11H2,2-3H3,(H,17,19)(H,18,20)/t15-/m1/s1.
What are the key properties of prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate?
prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate is sourced from PubChem (CID 25270369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).