1-(3-acetylphenyl)-3-(2-adamantyl)urea

C19H24N2O2 — CID 23581967

IUPAC1-(3-acetylphenyl)-3-(2-adamantyl)urea
SMILESCC(=O)c1cccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C19H24N2O2/c1-11(22)14-3-2-4-17(10-14)20-19(23)21-18-15-6-12-5-13(8-15)9-16(18)7-12/h2-4,10,12-13,15-16,18H,5-9H2,1H3,(H2,20,21,23)
InChIKeyNVEGDEXHKTWRLQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.84
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(2-adamantyl)urea

1-(3-acetylphenyl)-3-(2-adamantyl)urea (PubChem CID 23581967) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(2-adamantyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(2-adamantyl)urea
PubChem CID23581967
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(3-acetylphenyl)-3-(2-adamantyl)urea
SMILESCC(=O)c1cccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C19H24N2O2/c1-11(22)14-3-2-4-17(10-14)20-19(23)21-18-15-6-12-5-13(8-15)9-16(18)7-12/h2-4,10,12-13,15-16,18H,5-9H2,1H3,(H2,20,21,23)
InChIKeyNVEGDEXHKTWRLQ-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dpc-168
CID 11227406
1-(3-Acetyl-4-fluoro-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
CID 11340670
1-(3-Acetyl-phenyl)-3-{(1R,2S)-2-[(R)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
CID 11385766
1-(3,5-Diacetyl-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
CID 11409583
1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-oxopropyl)piperidin-2-yl)propyl)-3-(3,5-diacetylphenyl)urea
CID 44419298
(+)1-(3-((2S,4R)-4-(4-fluorobenzyl)piperidin-2-yl)propyl)-3-(3,5-diacetylphenyl)urea
CID 44419331
1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-propylpiperidin-2-yl)propyl)-3-(3,5-diacetylphenyl)urea
CID 44419344
1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-allylpiperidin-2-yl)propyl)-3-(3,5-diacetylphenyl)urea
CID 44419345
1-(3,5-diacetylphenyl)-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
CID 44455459
4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 154636919
1-(2-Adamantyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 164621598
N-(3-Acetylphenyl)-N'-phenylurea
CID 295256

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(2-adamantyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(2-adamantyl)urea (CID 23581967) is 1-(3-acetylphenyl)-3-(2-adamantyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(2-adamantyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(2-adamantyl)urea is CC(=O)c1cccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(2-adamantyl)urea?
The InChIKey is NVEGDEXHKTWRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-11(22)14-3-2-4-17(10-14)20-19(23)21-18-15-6-12-5-13(8-15)9-16(18)7-12/h2-4,10,12-13,15-16,18H,5-9H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-acetylphenyl)-3-(2-adamantyl)urea?
1-(3-acetylphenyl)-3-(2-adamantyl)urea has a molecular weight of 312.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(2-adamantyl)urea is sourced from PubChem (CID 23581967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).