3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide

C20H26FN3O2 — CID 26915513

IUPAC3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1
InChIInChI=1S/C20H26FN3O2/c21-16-1-3-17(4-2-16)23-18(25)5-6-22-19(26)24-20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5-12H2,(H,23,25)(H2,22,24,26)
InChIKeyJRLYPDCNYRLCBU-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.42
Rot. Bonds5

About 3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide

3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide (PubChem CID 26915513) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide
PubChem CID26915513
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1
InChIInChI=1S/C20H26FN3O2/c21-16-1-3-17(4-2-16)23-18(25)5-6-22-19(26)24-20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5-12H2,(H,23,25)(H2,22,24,26)
InChIKeyJRLYPDCNYRLCBU-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009311
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate
CID 4781462
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate
CID 42900435
3-(1-adamantylcarbamoylamino)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]propanamide
CID 55581086
3-(1-adamantylcarbamoylamino)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 134016396
3-(1-adamantylcarbamoylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 26584433
3-(1-adamantylcarbamoylamino)-N-[2-(methoxymethyl)phenyl]propanamide
CID 55780167
2-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55807245
3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid
CID 11595336
4-(1-adamantylcarbamoylamino)-N-propylbenzamide
CID 17180776
1-(1-adamantyl)-3-[3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxopropyl]urea
CID 35930615
1-(1-adamantyl)-3-[3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-3-oxopropyl]urea
CID 55964394

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide (CID 26915513) is 3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide is O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide?
The InChIKey is JRLYPDCNYRLCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c21-16-1-3-17(4-2-16)23-18(25)5-6-22-19(26)24-20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5-12H2,(H,23,25)(H2,22,24,26).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide?
3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide has a molecular weight of 359.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 26915513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).