1-(1-adamantylmethyl)-3-(2-phenylethyl)urea

C20H28N2O — CID 52543399

IUPAC1-(1-adamantylmethyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O/c23-19(21-7-6-15-4-2-1-3-5-15)22-14-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-5,16-18H,6-14H2,(H2,21,22,23)
InChIKeyIMOVKTPQLNFZJC-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.74
Rot. Bonds5

About 1-(1-adamantylmethyl)-3-(2-phenylethyl)urea

1-(1-adamantylmethyl)-3-(2-phenylethyl)urea (PubChem CID 52543399) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-3-(2-phenylethyl)urea
PubChem CID52543399
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-(1-adamantylmethyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O/c23-19(21-7-6-15-4-2-1-3-5-15)22-14-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-5,16-18H,6-14H2,(H2,21,22,23)
InChIKeyIMOVKTPQLNFZJC-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
N,N'-Bis(2-phenylethyl)urea
CID 95244
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-phenethyladamantane-1-carboxamide
CID 2787235
1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea
CID 2955557
1-[2-(Dimethylamino)ethyl]-3-[3-(4-methylphenyl)-1-adamantyl]urea
CID 3424493
1-(1-Adamantyl)-3-(3-phenylpropyl)urea
CID 2982952
Urea, (2-cyclohexyl-2-phenylethyl)-
CID 6472454
1-adamantan-1-yl-3-((R)-1-phenyl-ethyl)-urea
CID 44419692
3-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231437
N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide
CID 46231440
N-(2-adamantyl)-4-phenylpiperidine-1-carboxamide
CID 46231441

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(1-adamantylmethyl)-3-(2-phenylethyl)urea (CID 52543399) is 1-(1-adamantylmethyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(1-adamantylmethyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(1-adamantylmethyl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylmethyl)-3-(2-phenylethyl)urea?
The InChIKey is IMOVKTPQLNFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c23-19(21-7-6-15-4-2-1-3-5-15)22-14-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-5,16-18H,6-14H2,(H2,21,22,23).
What are the key properties of 1-(1-adamantylmethyl)-3-(2-phenylethyl)urea?
1-(1-adamantylmethyl)-3-(2-phenylethyl)urea has a molecular weight of 312.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 52543399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).