3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide

C27H33NO3 — CID 59781189

IUPAC3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)C(O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H33NO3/c29-25(16-27-13-21-10-22(14-27)12-23(11-21)15-27)26(30)28-17-19-6-8-24(9-7-19)31-18-20-4-2-1-3-5-20/h1-9,21-23,25,29H,10-18H2,(H,28,30)
InChIKeyQMFVTNYQAANQBU-UHFFFAOYSA-N
MW419.56 g/mol
LogP4.85
Rot. Bonds8

About 3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide

3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide (PubChem CID 59781189) has the molecular formula C27H33NO3 and a molecular weight of 419.56 g/mol. Its IUPAC name is 3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide
PubChem CID59781189
Molecular FormulaC27H33NO3
Molecular Weight419.56 g/mol
Exact Mass419.25
IUPAC Name3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)C(O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H33NO3/c29-25(16-27-13-21-10-22(14-27)12-23(11-21)15-27)26(30)28-17-19-6-8-24(9-7-19)31-18-20-4-2-1-3-5-20/h1-9,21-23,25,29H,10-18H2,(H,28,30)
InChIKeyQMFVTNYQAANQBU-UHFFFAOYSA-N
XLogP4.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
1-[1-(1-adamantyl)ethyl]-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 68977304
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111337141
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
CID 57123573
(2S)-2-amino-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide;hydrochloride
CID 119712185
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
benzyl N-[1-(benzylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 56694181
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 7514446
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 7839751
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide (CID 59781189) is 3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide is O=C(NCc1ccc(OCc2ccccc2)cc1)C(O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
The InChIKey is QMFVTNYQAANQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO3/c29-25(16-27-13-21-10-22(14-27)12-23(11-21)15-27)26(30)28-17-19-6-8-24(9-7-19)31-18-20-4-2-1-3-5-20/h1-9,21-23,25,29H,10-18H2,(H,28,30).
What are the key properties of 3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide?
3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide has a molecular weight of 419.56 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 59781189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).