3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide

C21H26N2O3 — CID 139825452

IUPAC3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide
SMILESNC(=O)CCc1ccccc1OCC(O)CNC1Cc2ccccc2C1
InChIInChI=1S/C21H26N2O3/c22-21(25)10-9-15-5-3-4-8-20(15)26-14-19(24)13-23-18-11-16-6-1-2-7-17(16)12-18/h1-8,18-19,23-24H,9-14H2,(H2,22,25)
InChIKeyQHGQYJACRCEEEB-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.60
Rot. Bonds9

About 3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide

3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide (PubChem CID 139825452) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide
PubChem CID139825452
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide
SMILESNC(=O)CCc1ccccc1OCC(O)CNC1Cc2ccccc2C1
InChIInChI=1S/C21H26N2O3/c22-21(25)10-9-15-5-3-4-8-20(15)26-14-19(24)13-23-18-11-16-6-1-2-7-17(16)12-18/h1-8,18-19,23-24H,9-14H2,(H2,22,25)
InChIKeyQHGQYJACRCEEEB-UHFFFAOYSA-N
XLogP1.60
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 14751044
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
3-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxybenzamide;hydrochloride
CID 140816534
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107852038
[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]azanium
CID 146969644
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 14750994
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63364012
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14750950
1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14750999

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide?
The IUPAC name of 3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide (CID 139825452) is 3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide.
What is the SMILES notation for 3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide?
The canonical SMILES for 3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide is NC(=O)CCc1ccccc1OCC(O)CNC1Cc2ccccc2C1.
What is the InChIKey of 3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide?
The InChIKey is QHGQYJACRCEEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c22-21(25)10-9-15-5-3-4-8-20(15)26-14-19(24)13-23-18-11-16-6-1-2-7-17(16)12-18/h1-8,18-19,23-24H,9-14H2,(H2,22,25).
What are the key properties of 3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide?
3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropoxy]phenyl]propanamide is sourced from PubChem (CID 139825452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).