3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea

C17H30N2O3 — CID 108896040

IUPAC3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O3/c1-21-5-3-19(4-6-22-2)16(20)18-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,3-12H2,1-2H3,(H,18,20)
InChIKeyXVMPQRJSPLJDQV-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.26
Rot. Bonds7

About 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea

3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea (PubChem CID 108896040) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea
PubChem CID108896040
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O3/c1-21-5-3-19(4-6-22-2)16(20)18-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,3-12H2,1-2H3,(H,18,20)
InChIKeyXVMPQRJSPLJDQV-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-adamantyl)-1,1-bis(2-hydroxyethyl)urea
CID 61233632
3-(1-adamantyl)-1-[(1-benzylpyrrol-2-yl)methyl]-1-(2-methoxyethyl)urea
CID 3495765
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4285566
3-(1-adamantyl)-1-(2-hydroxyethyl)-1-methylurea
CID 54879606
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4054037
[[2-(1-adamantyl)acetyl]amino] N,N-bis(2-methoxyethyl)carbamate
CID 72712354
N-(3-aminopropyl)-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 63287228
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 4265189
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 3517804
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]acetamide
CID 4098395
2-[carboxymethyl(1-tricyclo[3.3.1.03,7]nonanylcarbamoyl)amino]acetic acid
CID 135232399
3-(1-adamantyl)-1-benzyl-1-ethylurea
CID 108896014

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea (CID 108896040) is 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea?
The InChIKey is XVMPQRJSPLJDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-21-5-3-19(4-6-22-2)16(20)18-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,3-12H2,1-2H3,(H,18,20).
What are the key properties of 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea?
3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea has a molecular weight of 310.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108896040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).