1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea

C18H27N3O2 — CID 111976784

IUPAC1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCC1CC(NC(=O)NCC(O)Cc2ccccc2)CN1C1CC1
InChIInChI=1S/C18H27N3O2/c1-13-9-15(12-21(13)16-7-8-16)20-18(23)19-11-17(22)10-14-5-3-2-4-6-14/h2-6,13,15-17,22H,7-12H2,1H3,(H2,19,20,23)
InChIKeyIAFNEEZSNYIQHY-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.51
Rot. Bonds6

About 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea

1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 111976784) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID111976784
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea
SMILESCC1CC(NC(=O)NCC(O)Cc2ccccc2)CN1C1CC1
InChIInChI=1S/C18H27N3O2/c1-13-9-15(12-21(13)16-7-8-16)20-18(23)19-11-17(22)10-14-5-3-2-4-6-14/h2-6,13,15-17,22H,7-12H2,1H3,(H2,19,20,23)
InChIKeyIAFNEEZSNYIQHY-UHFFFAOYSA-N
XLogP1.51
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99698318
(2S)-2-amino-N-[(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-phenylpropanamide
CID 124693344
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111976786
4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023942
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
CID 115706037
1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea
CID 110356549
3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide
CID 119900314
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
CID 110937017
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-phenylpropanamide
CID 120597505
1-(2-hydroxy-3-phenylpropyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111969612
2-[[[(1-benzylpiperidin-4-yl)amino]-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110044613

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea (CID 111976784) is 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea is CC1CC(NC(=O)NCC(O)Cc2ccccc2)CN1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is IAFNEEZSNYIQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-9-15(12-21(13)16-7-8-16)20-18(23)19-11-17(22)10-14-5-3-2-4-6-14/h2-6,13,15-17,22H,7-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea?
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 317.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 111976784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).