1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea

C15H24N2O3 — CID 111508574

IUPAC1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea
SMILESCCC(CO)NC(=O)NCC(C)Oc1ccc(C)cc1
InChIInChI=1S/C15H24N2O3/c1-4-13(10-18)17-15(19)16-9-12(3)20-14-7-5-11(2)6-8-14/h5-8,12-13,18H,4,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyNGMOUCMTTJTVDN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.83
Rot. Bonds7

About 1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea

1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea (PubChem CID 111508574) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea
PubChem CID111508574
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea
SMILESCCC(CO)NC(=O)NCC(C)Oc1ccc(C)cc1
InChIInChI=1S/C15H24N2O3/c1-4-13(10-18)17-15(19)16-9-12(3)20-14-7-5-11(2)6-8-14/h5-8,12-13,18H,4,9-10H2,1-3H3,(H2,16,17,19)
InChIKeyNGMOUCMTTJTVDN-UHFFFAOYSA-N
XLogP1.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea (CID 111508574) is 1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea is CCC(CO)NC(=O)NCC(C)Oc1ccc(C)cc1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea?
The InChIKey is NGMOUCMTTJTVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-13(10-18)17-15(19)16-9-12(3)20-14-7-5-11(2)6-8-14/h5-8,12-13,18H,4,9-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea?
1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[2-(4-methylphenoxy)propyl]urea is sourced from PubChem (CID 111508574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).