1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea

C17H27N3O2 — CID 111473354

IUPAC1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESCC(C)C(O)CCNC(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C17H27N3O2/c1-13(2)16(21)9-10-18-17(22)19-14-7-3-4-8-15(14)20-11-5-6-12-20/h3-4,7-8,13,16,21H,5-6,9-12H2,1-2H3,(H2,18,19,22)
InChIKeyUOTFLSWCEWQSPB-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.82
Rot. Bonds6

About 1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea

1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea (PubChem CID 111473354) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea
PubChem CID111473354
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESCC(C)C(O)CCNC(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C17H27N3O2/c1-13(2)16(21)9-10-18-17(22)19-14-7-3-4-8-15(14)20-11-5-6-12-20/h3-4,7-8,13,16,21H,5-6,9-12H2,1-2H3,(H2,18,19,22)
InChIKeyUOTFLSWCEWQSPB-UHFFFAOYSA-N
XLogP2.82
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111462816
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531
1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47032789
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide
CID 75401430
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
1-[2-(azepan-1-yl)phenyl]-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 60550959
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea (CID 111473354) is 1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea is CC(C)C(O)CCNC(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea?
The InChIKey is UOTFLSWCEWQSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)16(21)9-10-18-17(22)19-14-7-3-4-8-15(14)20-11-5-6-12-20/h3-4,7-8,13,16,21H,5-6,9-12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea?
1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea has a molecular weight of 305.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 111473354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).