1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea

C13H17N3O2 — CID 43596662

IUPAC1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2C3CNCC32)cc1
InChIInChI=1S/C13H17N3O2/c1-18-9-4-2-8(3-5-9)15-13(17)16-12-10-6-14-7-11(10)12/h2-5,10-12,14H,6-7H2,1H3,(H2,15,16,17)
InChIKeyDAWXRQIYALOXPR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.03
Rot. Bonds3

About 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea

1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea (PubChem CID 43596662) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea
PubChem CID43596662
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2C3CNCC32)cc1
InChIInChI=1S/C13H17N3O2/c1-18-9-4-2-8(3-5-9)15-13(17)16-12-10-6-14-7-11(10)12/h2-5,10-12,14H,6-7H2,1H3,(H2,15,16,17)
InChIKeyDAWXRQIYALOXPR-UHFFFAOYSA-N
XLogP1.03
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4-methoxyphenyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 75523060
1-(4-bromophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347554
1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 159900730
1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347434
1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4-methoxyphenyl)urea
CID 43827955
1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 134255085
1-(4-methoxyphenyl)-3-(2-piperidin-4-yloxyethyl)urea
CID 63871420
1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 79316576
1-cyclopentyloxy-3-(4-methoxyphenyl)urea
CID 112551748
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293

Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea (CID 43596662) is 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC2C3CNCC32)cc1.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is DAWXRQIYALOXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-18-9-4-2-8(3-5-9)15-13(17)16-12-10-6-14-7-11(10)12/h2-5,10-12,14H,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea?
1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 247.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-6-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 43596662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).