1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea

C21H31N3O3 — CID 55697566

IUPAC1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESO=C(NCCCOC1CCCCC1)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C21H31N3O3/c25-20(24-13-4-5-14-24)17-8-6-9-18(16-17)23-21(26)22-12-7-15-27-19-10-2-1-3-11-19/h6,8-9,16,19H,1-5,7,10-15H2,(H2,22,23,26)
InChIKeyMQEPSTYKKOWTDB-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.78
Rot. Bonds7

About 1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea

1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 55697566) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID55697566
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESO=C(NCCCOC1CCCCC1)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C21H31N3O3/c25-20(24-13-4-5-14-24)17-8-6-9-18(16-17)23-21(26)22-12-7-15-27-19-10-2-1-3-11-19/h6,8-9,16,19H,1-5,7,10-15H2,(H2,22,23,26)
InChIKeyMQEPSTYKKOWTDB-UHFFFAOYSA-N
XLogP3.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077035
methyl 3-(3-cyclopentyloxypropylcarbamothioylamino)benzoate
CID 100700651
[2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 135112899
3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51239700
2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54828810
1-(3-cyclohexyloxypropyl)-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 118764919
1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea
CID 48951773
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
1-[2-(4-tert-butylphenyl)ethyl]-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 110304367
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
N-(3-methoxypropyl)-1-[3-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 50829294
1-(3-chlorophenyl)-3-(3-cyclohexyloxypropyl)thiourea
CID 92541837

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea (CID 55697566) is 1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea is O=C(NCCCOC1CCCCC1)Nc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is MQEPSTYKKOWTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-20(24-13-4-5-14-24)17-8-6-9-18(16-17)23-21(26)22-12-7-15-27-19-10-2-1-3-11-19/h6,8-9,16,19H,1-5,7,10-15H2,(H2,22,23,26).
What are the key properties of 1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea?
1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 373.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxypropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 55697566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).