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

C16H25N3O2 — CID 110890877

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C16H25N3O2/c1-3-18(10-11-20)16(21)17-15-7-6-14(12-13(15)2)19-8-4-5-9-19/h6-7,12,20H,3-5,8-11H2,1-2H3,(H,17,21)
InChIKeyJFSGBDDUDKFEFO-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.44
Rot. Bonds5

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

1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea (PubChem CID 110890877) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
PubChem CID110890877
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
SMILESCCN(CCO)C(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C16H25N3O2/c1-3-18(10-11-20)16(21)17-15-7-6-14(12-13(15)2)19-8-4-5-9-19/h6-7,12,20H,3-5,8-11H2,1-2H3,(H,17,21)
InChIKeyJFSGBDDUDKFEFO-UHFFFAOYSA-N
XLogP2.44
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.44
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-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 110890872
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111452861
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912242
1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111925893
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
3-[3-(azepan-1-yl)phenyl]-1-butyl-1-(2-hydroxyethyl)urea
CID 111453660
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
CID 97305240
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea (CID 110890877) is 1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea is CCN(CCO)C(=O)Nc1ccc(N2CCCC2)cc1C.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
The InChIKey is JFSGBDDUDKFEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-18(10-11-20)16(21)17-15-7-6-14(12-13(15)2)19-8-4-5-9-19/h6-7,12,20H,3-5,8-11H2,1-2H3,(H,17,21).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea?
1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea has a molecular weight of 291.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 110890877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).