1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea

C20H31N3O — CID 26434990

IUPAC1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea
SMILESO=C(NCCCN1CC[C@H](c2ccccc2)C1)NC1CCCCC1
InChIInChI=1S/C20H31N3O/c24-20(22-19-10-5-2-6-11-19)21-13-7-14-23-15-12-18(16-23)17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H2,21,22,24)/t18-/m0/s1
InChIKeyBQVAIJCLLGCBBN-SFHVURJKSA-N
MW329.49 g/mol
LogP3.50
Rot. Bonds6

About 1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea

1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea (PubChem CID 26434990) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea
PubChem CID26434990
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea
SMILESO=C(NCCCN1CC[C@H](c2ccccc2)C1)NC1CCCCC1
InChIInChI=1S/C20H31N3O/c24-20(22-19-10-5-2-6-11-19)21-13-7-14-23-15-12-18(16-23)17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H2,21,22,24)/t18-/m0/s1
InChIKeyBQVAIJCLLGCBBN-SFHVURJKSA-N
XLogP3.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 46588795
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CID 110446919
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
CID 12940306
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CID 94362410
1-[3-(azepan-1-yl)propyl]-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513564
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
1-cyclohexyl-3-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-1-yl]butyl]urea
CID 16621685
N'-cyclohexyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27557907

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea (CID 26434990) is 1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea is O=C(NCCCN1CC[C@H](c2ccccc2)C1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea?
The InChIKey is BQVAIJCLLGCBBN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O/c24-20(22-19-10-5-2-6-11-19)21-13-7-14-23-15-12-18(16-23)17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H2,21,22,24)/t18-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea?
1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea has a molecular weight of 329.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]urea is sourced from PubChem (CID 26434990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).