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

C19H22N2O2 — CID 25195291

IUPACmethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C19H22N2O2/c1-23-19(22)21(17-11-12-20-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,20H,11-14H2,1H3/t17-/m0/s1
InChIKeyJTVKAFWSBOMWKU-KRWDZBQOSA-N
MW310.40 g/mol
LogP3.28
Rot. Bonds4

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

methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate (PubChem CID 25195291) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate
PubChem CID25195291
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namemethyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C19H22N2O2/c1-23-19(22)21(17-11-12-20-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,20H,11-14H2,1H3/t17-/m0/s1
InChIKeyJTVKAFWSBOMWKU-KRWDZBQOSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate (CID 25195291) is methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate is COC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
The InChIKey is JTVKAFWSBOMWKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-19(22)21(17-11-12-20-13-17)14-16-9-5-6-10-18(16)15-7-3-2-4-8-15/h2-10,17,20H,11-14H2,1H3/t17-/m0/s1.
What are the key properties of methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 25195291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).