3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide

C25H30N2O2 — CID 59316491

IUPAC3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(OCCNC34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C25H30N2O2/c26-24(28)22-3-1-2-21(13-22)20-4-6-23(7-5-20)29-9-8-27-25-14-17-10-18(15-25)12-19(11-17)16-25/h1-7,13,17-19,27H,8-12,14-16H2,(H2,26,28)
InChIKeyFVKOYYXIWPXODZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.39
Rot. Bonds7

About 3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide

3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide (PubChem CID 59316491) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide
PubChem CID59316491
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(OCCNC34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C25H30N2O2/c26-24(28)22-3-1-2-21(13-22)20-4-6-23(7-5-20)29-9-8-27-25-14-17-10-18(15-25)12-19(11-17)16-25/h1-7,13,17-19,27H,8-12,14-16H2,(H2,26,28)
InChIKeyFVKOYYXIWPXODZ-UHFFFAOYSA-N
XLogP4.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[2-[[(1S,2S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]ethoxy]phenyl]benzamide
CID 71125468
3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
CID 59316398
3-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629604
3-[4-[2-[2-(3-fluorophenyl)ethylamino]ethoxy]phenyl]benzamide
CID 58276651
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 162324107
3-[4-[2-[(3,5-difluorophenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629555
3-[4-(4-phenylbutoxy)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123258613
3-[4-[2-[methyl(3-methylbutyl)amino]ethoxy]phenyl]benzamide
CID 58276526
2-(1-adamantylamino)-1-(3-aminophenyl)ethanone
CID 82258305
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629597

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide?
The IUPAC name of 3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide (CID 59316491) is 3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide.
What is the SMILES notation for 3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide?
The canonical SMILES for 3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide is NC(=O)c1cccc(-c2ccc(OCCNC34CC5CC(CC(C5)C3)C4)cc2)c1.
What is the InChIKey of 3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide?
The InChIKey is FVKOYYXIWPXODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c26-24(28)22-3-1-2-21(13-22)20-4-6-23(7-5-20)29-9-8-27-25-14-17-10-18(15-25)12-19(11-17)16-25/h1-7,13,17-19,27H,8-12,14-16H2,(H2,26,28).
What are the key properties of 3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide?
3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide has a molecular weight of 390.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-adamantylamino)ethoxy]phenyl]benzamide is sourced from PubChem (CID 59316491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).