1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea

C16H26N2O3 — CID 111508543

IUPAC1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea
SMILESCCCC(O)CNC(=O)NCC(C)Oc1ccccc1C
InChIInChI=1S/C16H26N2O3/c1-4-7-14(19)11-18-16(20)17-10-13(3)21-15-9-6-5-8-12(15)2/h5-6,8-9,13-14,19H,4,7,10-11H2,1-3H3,(H2,17,18,20)
InChIKeyWZARXAYJPLVIDM-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.22
Rot. Bonds8

About 1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea

1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea (PubChem CID 111508543) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea
PubChem CID111508543
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea
SMILESCCCC(O)CNC(=O)NCC(C)Oc1ccccc1C
InChIInChI=1S/C16H26N2O3/c1-4-7-14(19)11-18-16(20)17-10-13(3)21-15-9-6-5-8-12(15)2/h5-6,8-9,13-14,19H,4,7,10-11H2,1-3H3,(H2,17,18,20)
InChIKeyWZARXAYJPLVIDM-UHFFFAOYSA-N
XLogP2.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82108960
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea
CID 111474234
2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
CID 71998406
N-ethyl-2-[[ethylamino-[2-(2-methylphenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111686449
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
1-[(2R)-2-(2-methylphenoxy)propyl]-3-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]urea
CID 129432983
1-[2-(2-fluorophenoxy)propyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 71868329

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea (CID 111508543) is 1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea is CCCC(O)CNC(=O)NCC(C)Oc1ccccc1C.
What is the InChIKey of 1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea?
The InChIKey is WZARXAYJPLVIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-7-14(19)11-18-16(20)17-10-13(3)21-15-9-6-5-8-12(15)2/h5-6,8-9,13-14,19H,4,7,10-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea?
1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea has a molecular weight of 294.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 111508543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).