1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea

C19H26N2O2 — CID 2982025

IUPAC1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H26N2O2/c1-23-17-4-2-3-13(8-17)12-20-18(22)21-19-9-14-5-15(10-19)7-16(6-14)11-19/h2-4,8,14-16H,5-7,9-12H2,1H3,(H2,20,21,22)
InChIKeyLPCSSHVCKFNQKK-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.46
Rot. Bonds4

About 1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea

1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 2982025) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea
PubChem CID2982025
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H26N2O2/c1-23-17-4-2-3-13(8-17)12-20-18(22)21-19-9-14-5-15(10-19)7-16(6-14)11-19/h2-4,8,14-16H,5-7,9-12H2,1H3,(H2,20,21,22)
InChIKeyLPCSSHVCKFNQKK-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
CID 169150536
1-(1-adamantyl)-3-[2-(3-methoxyphenyl)ethyl]thiourea
CID 3250585
N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794614
N-(1-adamantyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17374929
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190629
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360322
1-(1-adamantyl)-3-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea
CID 4685935
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-(cyclopentylidenemethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108913758

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea (CID 2982025) is 1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is LPCSSHVCKFNQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-23-17-4-2-3-13(8-17)12-20-18(22)21-19-9-14-5-15(10-19)7-16(6-14)11-19/h2-4,8,14-16H,5-7,9-12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea?
1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 314.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 2982025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).