1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea

C21H29FN2O2 — CID 97428542

IUPAC1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea
SMILESCO[C@@](C)(CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1F
InChIInChI=1S/C21H29FN2O2/c1-20(26-2,17-5-3-4-6-18(17)22)13-23-19(25)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3,(H2,23,24,25)/t14?,15?,16?,20-,21?/m0/s1
InChIKeyHNYGLMCVHXRRQX-CQLMTFPYSA-N
MW360.47 g/mol
LogP3.96
Rot. Bonds5

About 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea

1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea (PubChem CID 97428542) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea
PubChem CID97428542
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea
SMILESCO[C@@](C)(CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1F
InChIInChI=1S/C21H29FN2O2/c1-20(26-2,17-5-3-4-6-18(17)22)13-23-19(25)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3,(H2,23,24,25)/t14?,15?,16?,20-,21?/m0/s1
InChIKeyHNYGLMCVHXRRQX-CQLMTFPYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]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

1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 71810708
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 97428533
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 90599413
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
1-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887719
N-[2-(2-fluorophenyl)-2-methoxypropyl]naphthalene-1-carboxamide
CID 90599111
3-cyclohexyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
CID 90599087
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
CID 90599312

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea (CID 97428542) is 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea is CO[C@@](C)(CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1F.
What is the InChIKey of 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea?
The InChIKey is HNYGLMCVHXRRQX-CQLMTFPYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-20(26-2,17-5-3-4-6-18(17)22)13-23-19(25)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3,(H2,23,24,25)/t14?,15?,16?,20-,21?/m0/s1.
What are the key properties of 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea?
1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea has a molecular weight of 360.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]urea is sourced from PubChem (CID 97428542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).