prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate

C20H24N2O2 — CID 102140208

IUPACprop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate
SMILESC=CCOC(=O)N[C@@H](c1cccc(C)c1)[C@H](N)c1cccc(C)c1
InChIInChI=1S/C20H24N2O2/c1-4-11-24-20(23)22-19(17-10-6-8-15(3)13-17)18(21)16-9-5-7-14(2)12-16/h4-10,12-13,18-19H,1,11,21H2,2-3H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyFCBZNANOUXCNRK-MOPGFXCFSA-N
MW324.42 g/mol
LogP3.96
Rot. Bonds6

About prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate

prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate (PubChem CID 102140208) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate
PubChem CID102140208
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Nameprop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate
SMILESC=CCOC(=O)N[C@@H](c1cccc(C)c1)[C@H](N)c1cccc(C)c1
InChIInChI=1S/C20H24N2O2/c1-4-11-24-20(23)22-19(17-10-6-8-15(3)13-17)18(21)16-9-5-7-14(2)12-16/h4-10,12-13,18-19H,1,11,21H2,2-3H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyFCBZNANOUXCNRK-MOPGFXCFSA-N
XLogP3.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.96
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-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate (CID 102140208) is prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate is C=CCOC(=O)N[C@@H](c1cccc(C)c1)[C@H](N)c1cccc(C)c1.
What is the InChIKey of prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate?
The InChIKey is FCBZNANOUXCNRK-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-11-24-20(23)22-19(17-10-6-8-15(3)13-17)18(21)16-9-5-7-14(2)12-16/h4-10,12-13,18-19H,1,11,21H2,2-3H3,(H,22,23)/t18-,19+/m1/s1.
What are the key properties of prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate?
prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(1S,2R)-2-amino-1,2-bis(3-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 102140208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).