1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea

C14H21N3O — CID 44769571

IUPAC1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea
SMILESCN1CCCC1CCNC(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O/c1-17-11-5-8-13(17)9-10-15-14(18)16-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H2,15,16,18)
InChIKeyAFBNWQCAMAOGNE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea

1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea (PubChem CID 44769571) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea
PubChem CID44769571
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea
SMILESCN1CCCC1CCNC(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O/c1-17-11-5-8-13(17)9-10-15-14(18)16-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H2,15,16,18)
InChIKeyAFBNWQCAMAOGNE-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
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N-Methyl-N',N'-diphenylurea
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Centralite
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Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
1-Ebio
CID 82320
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1,3-Dimethyl-1,3-diphenylurea
CID 11917
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea (CID 44769571) is 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea is CN1CCCC1CCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea?
The InChIKey is AFBNWQCAMAOGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17-11-5-8-13(17)9-10-15-14(18)16-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea?
1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea has a molecular weight of 247.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 44769571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).