1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea

C19H25FN2O2 — CID 112832180

IUPAC1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESO=C(NCCOc1cccc(F)c1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25FN2O2/c20-16-2-1-3-17(11-16)24-5-4-21-19(23)22-18-14-7-12-6-13(9-14)10-15(18)8-12/h1-3,11-15,18H,4-10H2,(H2,21,22,23)
InChIKeyKXVZTTRDTAQWMU-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.33
Rot. Bonds5

About 1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea

1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea (PubChem CID 112832180) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea
PubChem CID112832180
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESO=C(NCCOc1cccc(F)c1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25FN2O2/c20-16-2-1-3-17(11-16)24-5-4-21-19(23)22-18-14-7-12-6-13(9-14)10-15(18)8-12/h1-3,11-15,18H,4-10H2,(H2,21,22,23)
InChIKeyKXVZTTRDTAQWMU-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-adamantyl)-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492574
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 71915144
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970338
N-[2-(3-methoxyphenoxy)ethyl]adamantane-2-carboxamide
CID 46399859
1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 110910257
9-amino-N-[2-(3-fluorophenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985844
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95163577

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea (CID 112832180) is 1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea is O=C(NCCOc1cccc(F)c1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
The InChIKey is KXVZTTRDTAQWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-2-1-3-17(11-16)24-5-4-21-19(23)22-18-14-7-12-6-13(9-14)10-15(18)8-12/h1-3,11-15,18H,4-10H2,(H2,21,22,23).
What are the key properties of 1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea?
1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea has a molecular weight of 332.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 112832180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).