2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

C21H25NO3 — CID 124862513

IUPAC2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESCC1(C)CCc2cc(CC(=O)N[C@@H](CO)c3ccccc3)ccc2O1
InChIInChI=1S/C21H25NO3/c1-21(2)11-10-17-12-15(8-9-19(17)25-21)13-20(24)22-18(14-23)16-6-4-3-5-7-16/h3-9,12,18,23H,10-11,13-14H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyNHEXQNDRDKGELD-SFHVURJKSA-N
MW339.44 g/mol
LogP3.18
Rot. Bonds5

About 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 124862513) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID124862513
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESCC1(C)CCc2cc(CC(=O)N[C@@H](CO)c3ccccc3)ccc2O1
InChIInChI=1S/C21H25NO3/c1-21(2)11-10-17-12-15(8-9-19(17)25-21)13-20(24)22-18(14-23)16-6-4-3-5-7-16/h3-9,12,18,23H,10-11,13-14H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyNHEXQNDRDKGELD-SFHVURJKSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)acetyl]amino]-3-phenylpropanoic acid
CID 118985810
methyl (3R)-3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-3-phenylpropanoate
CID 94571944
6-benzyl-2,2-dimethyl-3,4-dihydrochromene
CID 16729493
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(1H-imidazol-2-yl)acetamide
CID 71708966
2-amino-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propanoic acid
CID 117376321
2-(4-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945145
2-(3-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103946363
2-(3-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103946380
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 71753734
3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)butanoic acid
CID 117097127

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (CID 124862513) is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide is CC1(C)CCc2cc(CC(=O)N[C@@H](CO)c3ccccc3)ccc2O1.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is NHEXQNDRDKGELD-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(2)11-10-17-12-15(8-9-19(17)25-21)13-20(24)22-18(14-23)16-6-4-3-5-7-16/h3-9,12,18,23H,10-11,13-14H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 124862513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).