1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea

C15H21N3O2 — CID 110490951

IUPAC1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea
SMILESNc1ccc(C2(NC(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C15H21N3O2/c16-12-5-3-11(4-6-12)15(7-8-15)18-14(19)17-10-13-2-1-9-20-13/h3-6,13H,1-2,7-10,16H2,(H2,17,18,19)
InChIKeyAZIBKJQZQQPCHO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.74
Rot. Bonds4

About 1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea

1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 110490951) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID110490951
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea
SMILESNc1ccc(C2(NC(=O)NCC3CCCO3)CC2)cc1
InChIInChI=1S/C15H21N3O2/c16-12-5-3-11(4-6-12)15(7-8-15)18-14(19)17-10-13-2-1-9-20-13/h3-6,13H,1-2,7-10,16H2,(H2,17,18,19)
InChIKeyAZIBKJQZQQPCHO-UHFFFAOYSA-N
XLogP1.74
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-isopropenylphenyl)-1-methylethyl]-N'-(tetrahydro-2-furanylmethyl)urea
CID 2788461
1-(Tetrahydro-furan-2-ylmethyl)-3-o-tolyl-urea
CID 2787273
3-(2,4-Dimethylphenyl)-1-heptyl-1-(oxolan-2-ylmethyl)urea
CID 171358549
1-(4-Isopropyl-phenyl)-3-(tetrahydro-furan-2-ylmethyl)-urea
CID 3848970
1-Methyl-3-[1-(4-morpholin-4-ylphenyl)ethyl]-1-(oxolan-2-ylmethyl)urea
CID 56801143
1-[(4-Aminophenyl)methyl]-3-(2-hydroxyhex-5-enyl)urea
CID 138971612
1-[[(2R)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2305738
1-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2305739
1-(Tetrahydro-furan-2-ylmethyl)-3-(3-trifluoromethyl-phenyl)-urea
CID 3533344
1-(5-Fluoro-2-methylphenyl)-3-[(oxolan-2-yl)methyl]urea
CID 4644052
1-(3-Fluoro-4-methylphenyl)-3-[1-(tetrahydrofuran-2-yl)ethyl]urea
CID 17087651
N-(3-Fluoro-4-methylphenyl)-N'-tetrahydro-2-furanylmethylurea
CID 17087725

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea (CID 110490951) is 1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea is Nc1ccc(C2(NC(=O)NCC3CCCO3)CC2)cc1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is AZIBKJQZQQPCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-12-5-3-11(4-6-12)15(7-8-15)18-14(19)17-10-13-2-1-9-20-13/h3-6,13H,1-2,7-10,16H2,(H2,17,18,19).
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea?
1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 275.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 110490951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).