1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea

C15H24N2O2 — CID 111459209

IUPAC1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea
SMILESCc1cccc(C(C)CNC(=O)NCCC(C)O)c1
InChIInChI=1S/C15H24N2O2/c1-11-5-4-6-14(9-11)12(2)10-17-15(19)16-8-7-13(3)18/h4-6,9,12-13,18H,7-8,10H2,1-3H3,(H2,16,17,19)
InChIKeyDZZJTUCEJXFZTE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.17
Rot. Bonds6

About 1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea

1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea (PubChem CID 111459209) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea
PubChem CID111459209
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea
SMILESCc1cccc(C(C)CNC(=O)NCCC(C)O)c1
InChIInChI=1S/C15H24N2O2/c1-11-5-4-6-14(9-11)12(2)10-17-15(19)16-8-7-13(3)18/h4-6,9,12-13,18H,7-8,10H2,1-3H3,(H2,16,17,19)
InChIKeyDZZJTUCEJXFZTE-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(3-methylphenyl)propyl]-3-[[4-[(R)-methylsulfinyl]phenyl]methyl]urea
CID 96562891
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
2,2-dimethyl-N-[2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111660160
2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide
CID 110015933
tert-butyl N-[2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111660130
2-methyl-1-[2-(3-methylphenyl)propyl]-3-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111659239
2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111659677
N-[(2R)-2-(3-methylphenyl)propyl]-2-(2-methylsulfonylphenyl)acetamide
CID 100757668
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(2S)-2-(3-methylphenyl)propyl]urea
CID 129402956
3-(3-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81019471
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea (CID 111459209) is 1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea is Cc1cccc(C(C)CNC(=O)NCCC(C)O)c1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea?
The InChIKey is DZZJTUCEJXFZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-5-4-6-14(9-11)12(2)10-17-15(19)16-8-7-13(3)18/h4-6,9,12-13,18H,7-8,10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea?
1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[2-(3-methylphenyl)propyl]urea is sourced from PubChem (CID 111459209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).