1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea

C20H25N3O — CID 51727871

IUPAC1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NCc1ccccc1)N[C@@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(21-15-17-9-3-1-4-10-17)22-19(16-23-13-7-8-14-23)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H2,21,22,24)/t19-/m0/s1
InChIKeyQJAIDXKWYZMCCF-IBGZPJMESA-N
MW323.44 g/mol
LogP3.32
Rot. Bonds6

About 1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea

1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea (PubChem CID 51727871) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
PubChem CID51727871
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NCc1ccccc1)N[C@@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C20H25N3O/c24-20(21-15-17-9-3-1-4-10-17)22-19(16-23-13-7-8-14-23)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H2,21,22,24)/t19-/m0/s1
InChIKeyQJAIDXKWYZMCCF-IBGZPJMESA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-ylmethyl)-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
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1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
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1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
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CID 11254892
1-benzyl-3-[(1R)-2-(benzylamino)-1-phenylethyl]urea
CID 166761787
1-benzyl-3-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]urea
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CID 66685345
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251
1-[4-(methanesulfonamidomethyl)phenyl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea?
The IUPAC name of 1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea (CID 51727871) is 1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea.
What is the SMILES notation for 1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea?
The canonical SMILES for 1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea is O=C(NCc1ccccc1)N[C@@H](CN1CCCC1)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea?
The InChIKey is QJAIDXKWYZMCCF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(21-15-17-9-3-1-4-10-17)22-19(16-23-13-7-8-14-23)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H2,21,22,24)/t19-/m0/s1.
What are the key properties of 1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea?
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 323.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 51727871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).