1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea

C12H15N3O4 — CID 43429980

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N(CCO)C1CC1
InChIInChI=1S/C12H15N3O4/c16-8-7-14(10-5-6-10)12(17)13-9-1-3-11(4-2-9)15(18)19/h1-4,10,16H,5-8H2,(H,13,17)
InChIKeyWRPSIUDPASCLKW-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.58
Rot. Bonds5

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea (PubChem CID 43429980) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea
PubChem CID43429980
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N(CCO)C1CC1
InChIInChI=1S/C12H15N3O4/c16-8-7-14(10-5-6-10)12(17)13-9-1-3-11(4-2-9)15(18)19/h1-4,10,16H,5-8H2,(H,13,17)
InChIKeyWRPSIUDPASCLKW-UHFFFAOYSA-N
XLogP1.58
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]urea
CID 110908553
1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
CID 110891304
2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide
CID 55381834
1-(2-chloroethyl)-1-methyl-3-(4-nitrophenyl)urea
CID 106441668
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
1-methyl-3-(4-nitrophenyl)-1-pyrrolidin-3-ylurea
CID 63297706
3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111437751
1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-3-(3-nitrophenyl)urea
CID 71931096
N-cyclopropyl-2-(ethylamino)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 62178015
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(4-nitrophenyl)acetamide
CID 60691484

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea (CID 43429980) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea is O=C(Nc1ccc([N+](=O)[O-])cc1)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea?
The InChIKey is WRPSIUDPASCLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-8-7-14(10-5-6-10)12(17)13-9-1-3-11(4-2-9)15(18)19/h1-4,10,16H,5-8H2,(H,13,17).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea has a molecular weight of 265.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea is sourced from PubChem (CID 43429980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).