N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide

C25H26N2O2 — CID 118929052

IUPACN-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide
SMILESO=C(NCC(O)CNC1Cc2ccccc2C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c28-24(16-26-23-14-21-8-4-5-9-22(21)15-23)17-27-25(29)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,23-24,26,28H,14-17H2,(H,27,29)
InChIKeyFVTSQRFRKSEZMU-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.20
Rot. Bonds7

About N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide

N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide (PubChem CID 118929052) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide
PubChem CID118929052
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide
SMILESO=C(NCC(O)CNC1Cc2ccccc2C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c28-24(16-26-23-14-21-8-4-5-9-22(21)15-23)17-27-25(29)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,23-24,26,28H,14-17H2,(H,27,29)
InChIKeyFVTSQRFRKSEZMU-UHFFFAOYSA-N
XLogP3.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide?
The IUPAC name of N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide (CID 118929052) is N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide is O=C(NCC(O)CNC1Cc2ccccc2C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide?
The InChIKey is FVTSQRFRKSEZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-24(16-26-23-14-21-8-4-5-9-22(21)15-23)17-27-25(29)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-13,23-24,26,28H,14-17H2,(H,27,29).
What are the key properties of N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide?
N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-phenylbenzamide is sourced from PubChem (CID 118929052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).