3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea

C15H23N3O2 — CID 102865027

IUPAC3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
SMILESNCc1ccc(NC(=O)N(CCCO)C2CCC2)cc1
InChIInChI=1S/C15H23N3O2/c16-11-12-5-7-13(8-6-12)17-15(20)18(9-2-10-19)14-3-1-4-14/h5-8,14,19H,1-4,9-11,16H2,(H,17,20)
InChIKeyYWNUOXAZHUTKGU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.91
Rot. Bonds6

About 3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea

3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea (PubChem CID 102865027) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
PubChem CID102865027
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
SMILESNCc1ccc(NC(=O)N(CCCO)C2CCC2)cc1
InChIInChI=1S/C15H23N3O2/c16-11-12-5-7-13(8-6-12)17-15(20)18(9-2-10-19)14-3-1-4-14/h5-8,14,19H,1-4,9-11,16H2,(H,17,20)
InChIKeyYWNUOXAZHUTKGU-UHFFFAOYSA-N
XLogP1.91
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
3-[3-(1-aminoethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea
CID 102869480
1-cyclopentyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 54944714
3-[4-(aminomethyl)phenyl]-1-(5-hydroxypentyl)-1-methylurea
CID 107201384
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
CID 111430067
1-(2-aminoethyl)-1-cyclohexyl-3-(4-fluorophenyl)urea
CID 63766530
2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102858984
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
CID 16780915
1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
CID 43319501
(1R,5S)-N-[4-(aminomethyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941166
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
CID 102874255

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea (CID 102865027) is 3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea is NCc1ccc(NC(=O)N(CCCO)C2CCC2)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea?
The InChIKey is YWNUOXAZHUTKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-11-12-5-7-13(8-6-12)17-15(20)18(9-2-10-19)14-3-1-4-14/h5-8,14,19H,1-4,9-11,16H2,(H,17,20).
What are the key properties of 3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea?
3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea has a molecular weight of 277.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-1-cyclobutyl-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 102865027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).