1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea

C22H33N3O — CID 2960850

IUPAC1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea
SMILESCN(C)CCNC(=O)NCC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H33N3O/c1-25(2)9-8-23-20(26)24-16-21-11-17-10-18(12-21)14-22(13-17,15-21)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H2,23,24,26)
InChIKeyXRIOLRXYGKKOOF-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.39
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea

1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea (PubChem CID 2960850) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea
PubChem CID2960850
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea
SMILESCN(C)CCNC(=O)NCC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H33N3O/c1-25(2)9-8-23-20(26)24-16-21-11-17-10-18(12-21)14-22(13-17,15-21)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H2,23,24,26)
InChIKeyXRIOLRXYGKKOOF-UHFFFAOYSA-N
XLogP3.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(Dimethylamino)ethyl]-3-[3-(4-methylphenyl)-1-adamantyl]urea
CID 3424493
1-(1-Adamantyl)-3-(3-phenylpropyl)urea
CID 2982952
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
N-(1-adamantylmethyl)-N'-benzylurea
CID 2926477
N-adamantanyl{[2-(4-fluorophenyl)ethyl]amino}carboxamide
CID 2982729
1-(1-Adamantyl)-3-benzylurea
CID 3758167
1-(2-Adamantyl)-3-(2-phenylethyl)urea
CID 23582678
N-(2-aminoethyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 130269616
(3-Methyl-5-phenyl-1-adamantyl)-piperazin-1-ylmethanone
CID 130269728

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea (CID 2960850) is 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea is CN(C)CCNC(=O)NCC12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea?
The InChIKey is XRIOLRXYGKKOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-25(2)9-8-23-20(26)24-16-21-11-17-10-18(12-21)14-22(13-17,15-21)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea?
1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea has a molecular weight of 355.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1-adamantyl)methyl]urea is sourced from PubChem (CID 2960850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).