3-(4-aminophenyl)-1-cycloheptyl-1-methylurea

C15H23N3O — CID 43614356

IUPAC3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
SMILESCN(C(=O)Nc1ccc(N)cc1)C1CCCCCC1
InChIInChI=1S/C15H23N3O/c1-18(14-6-4-2-3-5-7-14)15(19)17-13-10-8-12(16)9-11-13/h8-11,14H,2-7,16H2,1H3,(H,17,19)
InChIKeyYCVCISYGJADOPH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.46
Rot. Bonds2

About 3-(4-aminophenyl)-1-cycloheptyl-1-methylurea

3-(4-aminophenyl)-1-cycloheptyl-1-methylurea (PubChem CID 43614356) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-cycloheptyl-1-methylurea.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
PubChem CID43614356
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
SMILESCN(C(=O)Nc1ccc(N)cc1)C1CCCCCC1
InChIInChI=1S/C15H23N3O/c1-18(14-6-4-2-3-5-7-14)15(19)17-13-10-8-12(16)9-11-13/h8-11,14H,2-7,16H2,1H3,(H,17,19)
InChIKeyYCVCISYGJADOPH-UHFFFAOYSA-N
XLogP3.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea
CID 27869234
3-(4-aminophenyl)-1-methyl-1-(thiolan-3-yl)urea
CID 43469117
1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339495
3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
CID 51301770
(Z)-3-(4-aminoanilino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830212
2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 115296693
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(oxan-4-yl)urea
CID 61340045
5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide
CID 120624848
1-cyclohexyl-1-methyl-3-quinolin-7-ylurea
CID 69259812
1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
CID 4171224
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-cycloheptyl-1-methylurea?
The IUPAC name of 3-(4-aminophenyl)-1-cycloheptyl-1-methylurea (CID 43614356) is 3-(4-aminophenyl)-1-cycloheptyl-1-methylurea.
What is the SMILES notation for 3-(4-aminophenyl)-1-cycloheptyl-1-methylurea?
The canonical SMILES for 3-(4-aminophenyl)-1-cycloheptyl-1-methylurea is CN(C(=O)Nc1ccc(N)cc1)C1CCCCCC1.
What is the InChIKey of 3-(4-aminophenyl)-1-cycloheptyl-1-methylurea?
The InChIKey is YCVCISYGJADOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(14-6-4-2-3-5-7-14)15(19)17-13-10-8-12(16)9-11-13/h8-11,14H,2-7,16H2,1H3,(H,17,19).
What are the key properties of 3-(4-aminophenyl)-1-cycloheptyl-1-methylurea?
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea has a molecular weight of 261.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-cycloheptyl-1-methylurea is sourced from PubChem (CID 43614356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).