1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea

C17H25N3O2 — CID 110890872

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
SMILESCc1cc(N2CCCC2)ccc1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C17H25N3O2/c1-13-12-15(19-8-2-3-9-19)6-7-16(13)18-17(22)20(10-11-21)14-4-5-14/h6-7,12,14,21H,2-5,8-11H2,1H3,(H,18,22)
InChIKeyWMFJTIIMFPAFRM-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.58
Rot. Bonds5

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea (PubChem CID 110890872) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
PubChem CID110890872
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
SMILESCc1cc(N2CCCC2)ccc1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C17H25N3O2/c1-13-12-15(19-8-2-3-9-19)6-7-16(13)18-17(22)20(10-11-21)14-4-5-14/h6-7,12,14,21H,2-5,8-11H2,1H3,(H,18,22)
InChIKeyWMFJTIIMFPAFRM-UHFFFAOYSA-N
XLogP2.58
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 110890877
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 110899279
N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787565
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912242
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111452861
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 51135124
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
CID 97305240
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 26052656

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea (CID 110890872) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea is Cc1cc(N2CCCC2)ccc1NC(=O)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
The InChIKey is WMFJTIIMFPAFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-12-15(19-8-2-3-9-19)6-7-16(13)18-17(22)20(10-11-21)14-4-5-14/h6-7,12,14,21H,2-5,8-11H2,1H3,(H,18,22).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea has a molecular weight of 303.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 110890872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).