1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea

C17H25N3O — CID 43460769

IUPAC1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
SMILESNc1cccc(CN(C(=O)NC2CCCCC2)C2CC2)c1
InChIInChI=1S/C17H25N3O/c18-14-6-4-5-13(11-14)12-20(16-9-10-16)17(21)19-15-7-2-1-3-8-15/h4-6,11,15-16H,1-3,7-10,12,18H2,(H,19,21)
InChIKeyHETPDUVYNHYMQE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.28
Rot. Bonds4

About 1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea

1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea (PubChem CID 43460769) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
PubChem CID43460769
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
SMILESNc1cccc(CN(C(=O)NC2CCCCC2)C2CC2)c1
InChIInChI=1S/C17H25N3O/c18-14-6-4-5-13(11-14)12-20(16-9-10-16)17(21)19-15-7-2-1-3-8-15/h4-6,11,15-16H,1-3,7-10,12,18H2,(H,19,21)
InChIKeyHETPDUVYNHYMQE-UHFFFAOYSA-N
XLogP3.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700032
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695406
N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide
CID 63011151
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea?
The IUPAC name of 1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea (CID 43460769) is 1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea?
The canonical SMILES for 1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea is Nc1cccc(CN(C(=O)NC2CCCCC2)C2CC2)c1.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea?
The InChIKey is HETPDUVYNHYMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-14-6-4-5-13(11-14)12-20(16-9-10-16)17(21)19-15-7-2-1-3-8-15/h4-6,11,15-16H,1-3,7-10,12,18H2,(H,19,21).
What are the key properties of 1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea?
1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea has a molecular weight of 287.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea is sourced from PubChem (CID 43460769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).