ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate

C20H24N2O2 — CID 24962988

IUPACethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C20H24N2O2/c1-2-24-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1
InChIKeyDRWJMJVERMOJBX-SFHVURJKSA-N
MW324.42 g/mol
LogP3.67
Rot. Bonds5

About ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate

ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate (PubChem CID 24962988) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate
PubChem CID24962988
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Nameethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C20H24N2O2/c1-2-24-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1
InChIKeyDRWJMJVERMOJBX-SFHVURJKSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate (CID 24962988) is ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate is CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
The InChIKey is DRWJMJVERMOJBX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-24-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1.
What are the key properties of ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 24962988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).