1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea

C17H27N3O3 — CID 99816188

IUPAC1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea
SMILESO=C(NCCCCN1CCOCC1)NCCc1cccc(O)c1
InChIInChI=1S/C17H27N3O3/c21-16-5-3-4-15(14-16)6-8-19-17(22)18-7-1-2-9-20-10-12-23-13-11-20/h3-5,14,21H,1-2,6-13H2,(H2,18,19,22)
InChIKeyMCMOORHOFDLWLD-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.35
Rot. Bonds8

About 1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea

1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea (PubChem CID 99816188) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea.

Molecular Properties

Compound Name1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea
PubChem CID99816188
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea
SMILESO=C(NCCCCN1CCOCC1)NCCc1cccc(O)c1
InChIInChI=1S/C17H27N3O3/c21-16-5-3-4-15(14-16)6-8-19-17(22)18-7-1-2-9-20-10-12-23-13-11-20/h3-5,14,21H,1-2,6-13H2,(H2,18,19,22)
InChIKeyMCMOORHOFDLWLD-UHFFFAOYSA-N
XLogP1.35
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-morpholin-4-ylethyl)phenol
CID 82187913
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60593286
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 113217434
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936
1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8766893
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108503044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea?
The IUPAC name of 1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea (CID 99816188) is 1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea.
What is the SMILES notation for 1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea?
The canonical SMILES for 1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea is O=C(NCCCCN1CCOCC1)NCCc1cccc(O)c1.
What is the InChIKey of 1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea?
The InChIKey is MCMOORHOFDLWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-16-5-3-4-15(14-16)6-8-19-17(22)18-7-1-2-9-20-10-12-23-13-11-20/h3-5,14,21H,1-2,6-13H2,(H2,18,19,22).
What are the key properties of 1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea?
1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea has a molecular weight of 321.42 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyphenyl)ethyl]-3-(4-morpholin-4-ylbutyl)urea is sourced from PubChem (CID 99816188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).