pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate

C18H20N2O2 — CID 163634504

IUPACpyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OCC1CCCN1
InChIInChI=1S/C18H20N2O2/c21-18(22-13-15-9-6-12-19-15)20-17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15,19H,6,9,12-13H2,(H,20,21)
InChIKeyHYYLJIRWTXGQKP-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.65
Rot. Bonds4

About pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate

pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate (PubChem CID 163634504) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Namepyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate
PubChem CID163634504
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namepyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OCC1CCCN1
InChIInChI=1S/C18H20N2O2/c21-18(22-13-15-9-6-12-19-15)20-17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15,19H,6,9,12-13H2,(H,20,21)
InChIKeyHYYLJIRWTXGQKP-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylbenzoic acid;[(2S)-pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
CID 121411230
pyrrolidin-2-ylmethyl N-(2-fluorophenyl)carbamate
CID 79337811
piperidin-2-ylmethyl N-(2-methoxyphenyl)carbamate
CID 79337607
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
CID 66925363
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-[2-(4-phenylphenyl)phenyl]carbamate
CID 69311024
pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate
CID 79338111
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
9H-fluoren-9-ylmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate;hydrochloride
CID 122705893
3-azabicyclo[3.1.0]hexan-6-ylmethyl N-(2-phenylphenyl)carbamate;2,3-dihydroxybutanedioic acid
CID 15983390
piperidin-2-ylmethyl N-(4-methylphenyl)carbamate
CID 79337808

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate?
The IUPAC name of pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate (CID 163634504) is pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate.
What is the SMILES notation for pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate?
The canonical SMILES for pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)OCC1CCCN1.
What is the InChIKey of pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate?
The InChIKey is HYYLJIRWTXGQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(22-13-15-9-6-12-19-15)20-17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15,19H,6,9,12-13H2,(H,20,21).
What are the key properties of pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate?
pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate has a molecular weight of 296.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-ylmethyl N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 163634504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).