1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea

C23H41N3O3 — CID 18183789

IUPAC1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea
SMILESCCCCCCCCCCCCCCNC(=O)NNCCOc1ccc(O)cc1
InChIInChI=1S/C23H41N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-23(28)26-25-19-20-29-22-16-14-21(27)15-17-22/h14-17,25,27H,2-13,18-20H2,1H3,(H2,24,26,28)
InChIKeyUZZKGDSCSNMLAW-UHFFFAOYSA-N
MW407.60 g/mol
LogP5.28
Rot. Bonds18

About 1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea

1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea (PubChem CID 18183789) has the molecular formula C23H41N3O3 and a molecular weight of 407.60 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea
PubChem CID18183789
Molecular FormulaC23H41N3O3
Molecular Weight407.60 g/mol
Exact Mass407.31
IUPAC Name1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea
SMILESCCCCCCCCCCCCCCNC(=O)NNCCOc1ccc(O)cc1
InChIInChI=1S/C23H41N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-23(28)26-25-19-20-29-22-16-14-21(27)15-17-22/h14-17,25,27H,2-13,18-20H2,1H3,(H2,24,26,28)
InChIKeyUZZKGDSCSNMLAW-UHFFFAOYSA-N
XLogP5.28
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(4-hydroxyphenoxy)phenoxy]ethyl]-3-(octadecylamino)urea
CID 18183899
1-[3-[4-(4-hydroxyphenoxy)phenoxy]propanoylamino]-3-octadecylurea
CID 18183906
3-[4-(4-hydroxyphenoxy)phenoxy]-N-(octadecylcarbamoyl)propanamide
CID 18183886
1-[2-(4-hydroxyphenoxy)ethyl]-3-(1-tetradecoxypropylamino)urea
CID 21259924
octadecyl N-[2-(4-hydroxyphenoxy)ethyl]carbamate
CID 18183900
4-octadecoxyphenol
CID 22179059
1-[2-(4-hydroxyphenoxy)ethyl]-3-(1-octadecan-2-yloxyethylamino)urea
CID 70180701
1-(6-decan-5-yloxyhexanoylamino)-3-[2-(4-hydroxyphenoxy)ethyl]urea
CID 70179783
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
4-butoxy-N-hexadecylbenzamide
CID 4936106
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
N-[3-(4-hydroxyphenoxy)propyl]-N'-(2-octadecan-2-ylsulfanylethyl)oxamide
CID 21260066

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea?
The IUPAC name of 1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea (CID 18183789) is 1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea.
What is the SMILES notation for 1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea?
The canonical SMILES for 1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea is CCCCCCCCCCCCCCNC(=O)NNCCOc1ccc(O)cc1.
What is the InChIKey of 1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea?
The InChIKey is UZZKGDSCSNMLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-23(28)26-25-19-20-29-22-16-14-21(27)15-17-22/h14-17,25,27H,2-13,18-20H2,1H3,(H2,24,26,28).
What are the key properties of 1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea?
1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea has a molecular weight of 407.60 g/mol, XLogP of 5.28, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenoxy)ethylamino]-3-tetradecylurea is sourced from PubChem (CID 18183789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).