N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide

C25H25N3O2 — CID 58837417

IUPACN-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
SMILESCNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C25H25N3O2/c1-26-17-23(29)24(18-8-4-2-5-9-18)28-15-14-20-16-21(12-13-22(20)28)27-25(30)19-10-6-3-7-11-19/h2-16,23-24,26,29H,17H2,1H3,(H,27,30)/t23-,24+/m1/s1
InChIKeyONRZGHKNSDFXSC-RPWUZVMVSA-N
MW399.49 g/mol
LogP4.06
Rot. Bonds7

About N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide

N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide (PubChem CID 58837417) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
PubChem CID58837417
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
SMILESCNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C25H25N3O2/c1-26-17-23(29)24(18-8-4-2-5-9-18)28-15-14-20-16-21(12-13-22(20)28)27-25(30)19-10-6-3-7-11-19/h2-16,23-24,26,29H,17H2,1H3,(H,27,30)/t23-,24+/m1/s1
InChIKeyONRZGHKNSDFXSC-RPWUZVMVSA-N
XLogP4.06
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
CID 141172289
1-[(1S,2S)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-ol
CID 69159022
(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 45486630
(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
CID 68906029
(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 68906230
N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-2,3-dihydroindol-5-yl]benzamide;hydrochloride
CID 69455883
[(2S,3S)-3-[5-[(3-chlorobenzoyl)amino]indol-1-yl]-2-hydroxy-3-phenylpropyl] 4-methylbenzenesulfonate
CID 87717686
1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 68903649
1-(5-chloroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 68906067
(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride
CID 68904895
(1S,2R)-1-(4-aminoindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 89197356
[(2S,3S)-3-[5-(cyclohexanecarbonylamino)indol-1-yl]-2-hydroxy-3-phenylpropyl] 4-methylbenzenesulfonate
CID 87717736

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide?
The IUPAC name of N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide (CID 58837417) is N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide.
What is the SMILES notation for N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide?
The canonical SMILES for N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide is CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide?
The InChIKey is ONRZGHKNSDFXSC-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-26-17-23(29)24(18-8-4-2-5-9-18)28-15-14-20-16-21(12-13-22(20)28)27-25(30)19-10-6-3-7-11-19/h2-16,23-24,26,29H,17H2,1H3,(H,27,30)/t23-,24+/m1/s1.
What are the key properties of N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide?
N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide is sourced from PubChem (CID 58837417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).