3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one

C22H23NO4 — CID 110174890

IUPAC3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one
SMILESCc1oc2ccccc2c(=O)c1C(=O)CCNC(C)C(O)c1ccccc1
InChIInChI=1S/C22H23NO4/c1-14(21(25)16-8-4-3-5-9-16)23-13-12-18(24)20-15(2)27-19-11-7-6-10-17(19)22(20)26/h3-11,14,21,23,25H,12-13H2,1-2H3
InChIKeyQGDNGDWLOAHVEW-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.39
Rot. Bonds7

About 3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one

3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one (PubChem CID 110174890) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one.

Molecular Properties

Compound Name3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one
PubChem CID110174890
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one
SMILESCc1oc2ccccc2c(=O)c1C(=O)CCNC(C)C(O)c1ccccc1
InChIInChI=1S/C22H23NO4/c1-14(21(25)16-8-4-3-5-9-16)23-13-12-18(24)20-15(2)27-19-11-7-6-10-17(19)22(20)26/h3-11,14,21,23,25H,12-13H2,1-2H3
InChIKeyQGDNGDWLOAHVEW-UHFFFAOYSA-N
XLogP3.39
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one
CID 110180074
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one
CID 110182601
1-(2-methyl-1-benzofuran-3-yl)butan-1-one
CID 139824146
1-(3-hydroxyphenyl)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]propan-1-one;hydrochloride
CID 122190812
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
(E)-5-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)pent-1-en-3-one
CID 110176514
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
3-[[(1R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
CID 6321246
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 5492951
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one?
The IUPAC name of 3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one (CID 110174890) is 3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one.
What is the SMILES notation for 3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one?
The canonical SMILES for 3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one is Cc1oc2ccccc2c(=O)c1C(=O)CCNC(C)C(O)c1ccccc1.
What is the InChIKey of 3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one?
The InChIKey is QGDNGDWLOAHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14(21(25)16-8-4-3-5-9-16)23-13-12-18(24)20-15(2)27-19-11-7-6-10-17(19)22(20)26/h3-11,14,21,23,25H,12-13H2,1-2H3.
What are the key properties of 3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one?
3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one has a molecular weight of 365.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one is sourced from PubChem (CID 110174890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).