1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea

C15H23N3O4 — CID 108871039

IUPAC1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCC(NC(=O)NCCN1CCOCC1)Oc1ccc(O)cc1
InChIInChI=1S/C15H23N3O4/c1-12(22-14-4-2-13(19)3-5-14)17-15(20)16-6-7-18-8-10-21-11-9-18/h2-5,12,19H,6-11H2,1H3,(H2,16,17,20)
InChIKeyAYZRLBZCOIKXBL-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.75
Rot. Bonds6

About 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea

1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 108871039) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID108871039
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCC(NC(=O)NCCN1CCOCC1)Oc1ccc(O)cc1
InChIInChI=1S/C15H23N3O4/c1-12(22-14-4-2-13(19)3-5-14)17-15(20)16-6-7-18-8-10-21-11-9-18/h2-5,12,19H,6-11H2,1H3,(H2,16,17,20)
InChIKeyAYZRLBZCOIKXBL-UHFFFAOYSA-N
XLogP0.75
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
(2R)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 93486880
1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 95153196
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108503044

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea (CID 108871039) is 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea is CC(NC(=O)NCCN1CCOCC1)Oc1ccc(O)cc1.
What is the InChIKey of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is AYZRLBZCOIKXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-12(22-14-4-2-13(19)3-5-14)17-15(20)16-6-7-18-8-10-21-11-9-18/h2-5,12,19H,6-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea?
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 309.37 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 108871039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).