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

C21H26N2O2 — CID 44578370

IUPACpropan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C21H26N2O2/c1-16(2)25-21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
InChIKeyNLRQPOSSIBJNGG-IBGZPJMESA-N
MW338.45 g/mol
LogP4.06
Rot. Bonds5

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

propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate (PubChem CID 44578370) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate
PubChem CID44578370
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namepropan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C21H26N2O2/c1-16(2)25-21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1
InChIKeyNLRQPOSSIBJNGG-IBGZPJMESA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate (CID 44578370) is propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate is CC(C)OC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
The InChIKey is NLRQPOSSIBJNGG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)25-21(24)23(19-12-13-22-14-19)15-18-10-6-7-11-20(18)17-8-4-3-5-9-17/h3-11,16,19,22H,12-15H2,1-2H3/t19-/m0/s1.
What are the key properties of propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate?
propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate has a molecular weight of 338.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 44578370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).