1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea

C20H25N3O — CID 99903541

IUPAC1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea
SMILESO=C(NCCc1ccccc1)NC[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(21-14-13-17-8-3-1-4-9-17)22-16-19-12-7-15-23(19)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H2,21,22,24)/t19-/m0/s1
InChIKeyNSGHOMMOXXPFEM-IBGZPJMESA-N
MW323.44 g/mol
LogP3.20
Rot. Bonds6

About 1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea

1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea (PubChem CID 99903541) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea
PubChem CID99903541
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea
SMILESO=C(NCCc1ccccc1)NC[C@@H]1CCCN1c1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(21-14-13-17-8-3-1-4-9-17)22-16-19-12-7-15-23(19)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H2,21,22,24)/t19-/m0/s1
InChIKeyNSGHOMMOXXPFEM-IBGZPJMESA-N
XLogP3.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea (CID 99903541) is 1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea is O=C(NCCc1ccccc1)NC[C@@H]1CCCN1c1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea?
The InChIKey is NSGHOMMOXXPFEM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(21-14-13-17-8-3-1-4-9-17)22-16-19-12-7-15-23(19)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H2,21,22,24)/t19-/m0/s1.
What are the key properties of 1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea?
1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea has a molecular weight of 323.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]urea is sourced from PubChem (CID 99903541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).