1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea

C15H23N3O2 — CID 102874255

IUPAC1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N(CCCN)C2CCC2)c1
InChIInChI=1S/C15H23N3O2/c1-20-14-8-2-5-12(11-14)17-15(19)18(10-4-9-16)13-6-3-7-13/h2,5,8,11,13H,3-4,6-7,9-10,16H2,1H3,(H,17,19)
InChIKeyLZJPEFXOXOQLEH-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.43
Rot. Bonds6

About 1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea

1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea (PubChem CID 102874255) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
PubChem CID102874255
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N(CCCN)C2CCC2)c1
InChIInChI=1S/C15H23N3O2/c1-20-14-8-2-5-12(11-14)17-15(19)18(10-4-9-16)13-6-3-7-13/h2,5,8,11,13H,3-4,6-7,9-10,16H2,1H3,(H,17,19)
InChIKeyLZJPEFXOXOQLEH-UHFFFAOYSA-N
XLogP2.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
CID 43319501
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
CID 108869157
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(oxan-4-yl)urea
CID 90607143
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea
CID 66213856
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea
CID 61310944
3-[3-(1-aminoethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102869480
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
CID 99635550
1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea
CID 54992248

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea (CID 102874255) is 1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)N(CCCN)C2CCC2)c1.
What is the InChIKey of 1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea?
The InChIKey is LZJPEFXOXOQLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-8-2-5-12(11-14)17-15(19)18(10-4-9-16)13-6-3-7-13/h2,5,8,11,13H,3-4,6-7,9-10,16H2,1H3,(H,17,19).
What are the key properties of 1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea?
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 102874255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).