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

C18H27N3O — CID 95907758

IUPAC1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
SMILESCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCC1
InChIInChI=1S/C18H27N3O/c1-20(16-10-7-11-16)18(22)19-14-17(21-12-5-6-13-21)15-8-3-2-4-9-15/h2-4,8-9,16-17H,5-7,10-14H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyGHNOJRKNBCXUSN-KRWDZBQOSA-N
MW301.43 g/mol
LogP3.02
Rot. Bonds5

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

1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea (PubChem CID 95907758) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
PubChem CID95907758
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
SMILESCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCC1
InChIInChI=1S/C18H27N3O/c1-20(16-10-7-11-16)18(22)19-14-17(21-12-5-6-13-21)15-8-3-2-4-9-15/h2-4,8-9,16-17H,5-7,10-14H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyGHNOJRKNBCXUSN-KRWDZBQOSA-N
XLogP3.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 112831555
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CID 112765032
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CID 111506748
2-(dimethylamino)-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 47839657
1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455932
1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97071225
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea
CID 75423415
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea?
The IUPAC name of 1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea (CID 95907758) is 1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea.
What is the SMILES notation for 1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea?
The canonical SMILES for 1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea is CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea?
The InChIKey is GHNOJRKNBCXUSN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20(16-10-7-11-16)18(22)19-14-17(21-12-5-6-13-21)15-8-3-2-4-9-15/h2-4,8-9,16-17H,5-7,10-14H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of 1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea?
1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 301.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 95907758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).