1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

C18H29N3O2 — CID 111337736

IUPAC1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCCCC(O)CNC(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H29N3O2/c1-2-8-16(22)13-19-18(23)20-14-17(21-11-6-7-12-21)15-9-4-3-5-10-15/h3-5,9-10,16-17,22H,2,6-8,11-14H2,1H3,(H2,19,20,23)
InChIKeyCBBJNRUJNZMJHY-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.28
Rot. Bonds8

About 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (PubChem CID 111337736) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
PubChem CID111337736
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCCCC(O)CNC(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H29N3O2/c1-2-8-16(22)13-19-18(23)20-14-17(21-11-6-7-12-21)15-9-4-3-5-10-15/h3-5,9-10,16-17,22H,2,6-8,11-14H2,1H3,(H2,19,20,23)
InChIKeyCBBJNRUJNZMJHY-UHFFFAOYSA-N
XLogP2.28
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97215316
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 110353410
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
2-(dimethylamino)-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 47839657
1-(4-hydroxycyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892520
1-(4-methylphenyl)sulfonyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112503252
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 43063545

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (CID 111337736) is 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is CCCC(O)CNC(=O)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is CBBJNRUJNZMJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-2-8-16(22)13-19-18(23)20-14-17(21-11-6-7-12-21)15-9-4-3-5-10-15/h3-5,9-10,16-17,22H,2,6-8,11-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 319.45 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 111337736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).