1-(2-adamantyl)-3-(4-ethoxyphenyl)urea

C19H26N2O2 — CID 17283236

IUPAC1-(2-adamantyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H26N2O2/c1-2-23-17-5-3-16(4-6-17)20-19(22)21-18-14-8-12-7-13(10-14)11-15(18)9-12/h3-6,12-15,18H,2,7-11H2,1H3,(H2,20,21,22)
InChIKeyZXGPNMNDKORZBP-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.03
Rot. Bonds4

About 1-(2-adamantyl)-3-(4-ethoxyphenyl)urea

1-(2-adamantyl)-3-(4-ethoxyphenyl)urea (PubChem CID 17283236) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(4-ethoxyphenyl)urea
PubChem CID17283236
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-(2-adamantyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C19H26N2O2/c1-2-23-17-5-3-16(4-6-17)20-19(22)21-18-14-8-12-7-13(10-14)11-15(18)9-12/h3-6,12-15,18H,2,7-11H2,1H3,(H2,20,21,22)
InChIKeyZXGPNMNDKORZBP-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(4-ethoxyphenyl)-3-(oxolan-3-yl)urea
CID 115758908
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
CID 47133290
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide
CID 12585306
1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 2895163

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(2-adamantyl)-3-(4-ethoxyphenyl)urea (CID 17283236) is 1-(2-adamantyl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(2-adamantyl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(2-adamantyl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 1-(2-adamantyl)-3-(4-ethoxyphenyl)urea?
The InChIKey is ZXGPNMNDKORZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-23-17-5-3-16(4-6-17)20-19(22)21-18-14-8-12-7-13(10-14)11-15(18)9-12/h3-6,12-15,18H,2,7-11H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-adamantyl)-3-(4-ethoxyphenyl)urea?
1-(2-adamantyl)-3-(4-ethoxyphenyl)urea has a molecular weight of 314.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 17283236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).