1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea

C14H23N3O2 — CID 111336974

IUPAC1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
SMILESCCN(C)c1ccccc1NC(=O)NCCC(C)O
InChIInChI=1S/C14H23N3O2/c1-4-17(3)13-8-6-5-7-12(13)16-14(19)15-10-9-11(2)18/h5-8,11,18H,4,9-10H2,1-3H3,(H2,15,16,19)
InChIKeyDIOSOBKIJNAERP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.04
Rot. Bonds6

About 1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea

1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea (PubChem CID 111336974) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
PubChem CID111336974
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
SMILESCCN(C)c1ccccc1NC(=O)NCCC(C)O
InChIInChI=1S/C14H23N3O2/c1-4-17(3)13-8-6-5-7-12(13)16-14(19)15-10-9-11(2)18/h5-8,11,18H,4,9-10H2,1-3H3,(H2,15,16,19)
InChIKeyDIOSOBKIJNAERP-UHFFFAOYSA-N
XLogP2.04
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea
CID 91661600
1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917488
1-(3-hydroxybutyl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111412090
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea
CID 111336789
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346
1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea
CID 129422140
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336833
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea (CID 111336974) is 1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea is CCN(C)c1ccccc1NC(=O)NCCC(C)O.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea?
The InChIKey is DIOSOBKIJNAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17(3)13-8-6-5-7-12(13)16-14(19)15-10-9-11(2)18/h5-8,11,18H,4,9-10H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea?
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea has a molecular weight of 265.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).