2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one

C20H24N2O3 — CID 69192434

IUPAC2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one
SMILESNC(Cc1ccc(C[C@@H](O)CO)cc1)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C20H24N2O3/c21-19(10-15-7-5-14(6-8-15)9-18(24)13-23)20(25)22-11-16-3-1-2-4-17(16)12-22/h1-8,18-19,23-24H,9-13,21H2/t18-,19?/m1/s1
InChIKeyHXXDGYPKULDTFO-MRTLOADZSA-N
MW340.42 g/mol
LogP0.99
Rot. Bonds6

About 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one

2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one (PubChem CID 69192434) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one
PubChem CID69192434
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one
SMILESNC(Cc1ccc(C[C@@H](O)CO)cc1)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C20H24N2O3/c21-19(10-15-7-5-14(6-8-15)9-18(24)13-23)20(25)22-11-16-3-1-2-4-17(16)12-22/h1-8,18-19,23-24H,9-13,21H2/t18-,19?/m1/s1
InChIKeyHXXDGYPKULDTFO-MRTLOADZSA-N
XLogP0.99
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-(2,3-dihydroxypropyl)phenyl]propan-1-one
CID 69192437
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 62230153
(2R)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxypropan-1-one
CID 143478952
2-amino-3-(2,3-dihydro-1H-indol-6-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one
CID 69185805
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)pentan-1-one
CID 94373290
2-amino-3-(5-bromothiophen-2-yl)-1-(1,3-dihydroisoindol-2-yl)propan-1-one
CID 69186075
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
(2S)-2-amino-1-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 119312746
2-amino-1-(1,3-dihydroisoindol-2-yl)-4-methoxybutan-1-one
CID 62476291
(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 58648589
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647686

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one?
The IUPAC name of 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one (CID 69192434) is 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one is NC(Cc1ccc(C[C@@H](O)CO)cc1)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one?
The InChIKey is HXXDGYPKULDTFO-MRTLOADZSA-N. The full InChI is InChI=1S/C20H24N2O3/c21-19(10-15-7-5-14(6-8-15)9-18(24)13-23)20(25)22-11-16-3-1-2-4-17(16)12-22/h1-8,18-19,23-24H,9-13,21H2/t18-,19?/m1/s1.
What are the key properties of 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one?
2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one has a molecular weight of 340.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-[4-[(2R)-2,3-dihydroxypropyl]phenyl]propan-1-one is sourced from PubChem (CID 69192434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).