2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide

C29H38N2O3 — CID 72703342

IUPAC2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1OCC(O)CNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C29H38N2O3/c32-25(18-30-20-29-15-22-12-23(16-29)14-24(13-22)17-29)19-34-27-9-5-4-8-26(27)28(33)31-11-10-21-6-2-1-3-7-21/h1-9,22-25,30,32H,10-20H2,(H,31,33)
InChIKeyLKRUOISHXWADEN-UHFFFAOYSA-N
MW462.63 g/mol
LogP4.20
Rot. Bonds11

About 2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide

2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide (PubChem CID 72703342) has the molecular formula C29H38N2O3 and a molecular weight of 462.63 g/mol. Its IUPAC name is 2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide
PubChem CID72703342
Molecular FormulaC29H38N2O3
Molecular Weight462.63 g/mol
Exact Mass462.29
IUPAC Name2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1OCC(O)CNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C29H38N2O3/c32-25(18-30-20-29-15-22-12-23(16-29)14-24(13-22)17-29)19-34-27-9-5-4-8-26(27)28(33)31-11-10-21-6-2-1-3-7-21/h1-9,22-25,30,32H,10-20H2,(H,31,33)
InChIKeyLKRUOISHXWADEN-UHFFFAOYSA-N
XLogP4.20
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.63
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(4-fluorophenyl)benzamide
CID 72704374
2-[3-(1-adamantylmethylamino)propoxy]-N-(3-methylbutyl)benzamide
CID 147505485
methyl 4-[(2R)-3-(1-adamantylmethylamino)-2-hydroxypropoxy]-3-methoxybenzoate
CID 9450030
2-[5-(1-adamantyl)-2-hydroxypentoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 140750926
2-[5-(1-adamantyl)-2-hydroxypentoxy]-N-(4-fluorophenyl)benzamide
CID 140750916
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
methyl 2-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]benzoate
CID 15572779
1-(1-adamantylmethylamino)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 4801616
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
CID 70545546
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
2-[5-(4-benzoylphenyl)-2-hydroxypentoxy]-N-benzylbenzamide
CID 140750924

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide (CID 72703342) is 2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccccc1OCC(O)CNCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide?
The InChIKey is LKRUOISHXWADEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O3/c32-25(18-30-20-29-15-22-12-23(16-29)14-24(13-22)17-29)19-34-27-9-5-4-8-26(27)28(33)31-11-10-21-6-2-1-3-7-21/h1-9,22-25,30,32H,10-20H2,(H,31,33).
What are the key properties of 2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide?
2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide has a molecular weight of 462.63 g/mol, XLogP of 4.20, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 72703342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).