1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea

C23H32N2O2 — CID 68905991

IUPAC1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea
SMILESCC(CCc1ccccc1)C(=O)CNC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H32N2O2/c1-15(7-8-16-5-3-2-4-6-16)21(26)14-24-23(27)25-22-19-10-17-9-18(12-19)13-20(22)11-17/h2-6,15,17-20,22H,7-14H2,1H3,(H2,24,25,27)
InChIKeyOSTAYWIAHTWWHV-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.95
Rot. Bonds7

About 1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea

1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea (PubChem CID 68905991) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea
PubChem CID68905991
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea
SMILESCC(CCc1ccccc1)C(=O)CNC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H32N2O2/c1-15(7-8-16-5-3-2-4-6-16)21(26)14-24-23(27)25-22-19-10-17-9-18(12-19)13-20(22)11-17/h2-6,15,17-20,22H,7-14H2,1H3,(H2,24,25,27)
InChIKeyOSTAYWIAHTWWHV-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-phenylbutanoic acid
CID 66896591
(2S)-2-(2-methylprop-2-enylcarbamoylamino)-4-phenylbutanoic acid
CID 104983666
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] adamantane-2-carboxylate
CID 8518380
1-(3-azabicyclo[3.1.1]heptan-6-yl)-3-benzylurea
CID 130899357
2-phenylethyl 2-(2-adamantylcarbamoylamino)-3-(3-carbamimidoylphenyl)propanoate
CID 59383586
N-(2-adamantyl)-4-phenylbenzamide
CID 3608392
(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid
CID 104983243
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990
2-[[(2S)-1-chloro-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid
CID 87484460
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
bis[(3S)-3-methyl-2-oxo-5-phenylpentoxy]-oxophosphanium
CID 175036612

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea?
The IUPAC name of 1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea (CID 68905991) is 1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea.
What is the SMILES notation for 1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea?
The canonical SMILES for 1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea is CC(CCc1ccccc1)C(=O)CNC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea?
The InChIKey is OSTAYWIAHTWWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-15(7-8-16-5-3-2-4-6-16)21(26)14-24-23(27)25-22-19-10-17-9-18(12-19)13-20(22)11-17/h2-6,15,17-20,22H,7-14H2,1H3,(H2,24,25,27).
What are the key properties of 1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea?
1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea has a molecular weight of 368.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea is sourced from PubChem (CID 68905991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).