1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea

C16H25N3O2 — CID 97106056

IUPAC1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
SMILESCN(C)c1ccc([C@H](O)CNC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-19(2)14-9-7-12(8-10-14)15(20)11-17-16(21)18-13-5-3-4-6-13/h7-10,13,15,20H,3-6,11H2,1-2H3,(H2,17,18,21)/t15-/m1/s1
InChIKeyVNXYVKSNLVMFAN-OAHLLOKOSA-N
MW291.40 g/mol
LogP2.03
Rot. Bonds5

About 1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea

1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea (PubChem CID 97106056) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
PubChem CID97106056
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
SMILESCN(C)c1ccc([C@H](O)CNC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-19(2)14-9-7-12(8-10-14)15(20)11-17-16(21)18-13-5-3-4-6-13/h7-10,13,15,20H,3-6,11H2,1-2H3,(H2,17,18,21)/t15-/m1/s1
InChIKeyVNXYVKSNLVMFAN-OAHLLOKOSA-N
XLogP2.03
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 71803751
N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581640
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-cyclohexylurea
CID 14458365
N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 18583526
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 110893358
1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
CID 119060582
1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
CID 129373790
N'-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N-(2-methylpropyl)oxamide
CID 90581629
1-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-(2-methylphenyl)urea
CID 97106061
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
2-cyclopentyl-1-[4-(dimethylamino)phenyl]ethanol
CID 65151167

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea (CID 97106056) is 1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea is CN(C)c1ccc([C@H](O)CNC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea?
The InChIKey is VNXYVKSNLVMFAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)14-9-7-12(8-10-14)15(20)11-17-16(21)18-13-5-3-4-6-13/h7-10,13,15,20H,3-6,11H2,1-2H3,(H2,17,18,21)/t15-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea?
1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea has a molecular weight of 291.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea is sourced from PubChem (CID 97106056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).