1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea

C17H21N3O4 — CID 48951773

IUPAC1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea
SMILESO=C(NCCCOC1CCCC1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C17H21N3O4/c21-15-13-7-6-11(10-14(13)16(22)20-15)19-17(23)18-8-3-9-24-12-4-1-2-5-12/h6-7,10,12H,1-5,8-9H2,(H2,18,19,23)(H,20,21,22)
InChIKeyGZXPIQBYGKQPGF-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.04
Rot. Bonds6

About 1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea

1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea (PubChem CID 48951773) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea.

Molecular Properties

Compound Name1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea
PubChem CID48951773
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea
SMILESO=C(NCCCOC1CCCC1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C17H21N3O4/c21-15-13-7-6-11(10-14(13)16(22)20-15)19-17(23)18-8-3-9-24-12-4-1-2-5-12/h6-7,10,12H,1-5,8-9H2,(H2,18,19,23)(H,20,21,22)
InChIKeyGZXPIQBYGKQPGF-UHFFFAOYSA-N
XLogP2.04
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea
CID 49111400
1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 55697566
N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
CID 17172079
1-(3-cyclopentyloxypropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 49110487
2-[(1,3-dioxoisoindol-5-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate
CID 59414698
1-(3-cyclohexyloxypropyl)-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 118764919
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea
CID 56795130
methyl 3-(3-cyclopentyloxypropylcarbamothioylamino)benzoate
CID 100700651
1-(4-bromo-3-chlorophenyl)-3-(3-cyclohexyloxypropyl)thiourea
CID 100699692
1-(3-chlorophenyl)-3-(3-cyclohexyloxypropyl)thiourea
CID 92541837

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea?
The IUPAC name of 1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea (CID 48951773) is 1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea.
What is the SMILES notation for 1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea?
The canonical SMILES for 1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea is O=C(NCCCOC1CCCC1)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea?
The InChIKey is GZXPIQBYGKQPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-15-13-7-6-11(10-14(13)16(22)20-15)19-17(23)18-8-3-9-24-12-4-1-2-5-12/h6-7,10,12H,1-5,8-9H2,(H2,18,19,23)(H,20,21,22).
What are the key properties of 1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea?
1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea has a molecular weight of 331.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea is sourced from PubChem (CID 48951773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).