(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide

C26H27N3O3 — CID 51725796

IUPAC(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2ccccc2N2CCc3ccccc32)NC(C)=O)cc1
InChIInChI=1S/C26H27N3O3/c1-18(30)27-23(19-11-13-21(32-2)14-12-19)17-26(31)28-22-8-4-6-10-25(22)29-16-15-20-7-3-5-9-24(20)29/h3-14,23H,15-17H2,1-2H3,(H,27,30)(H,28,31)/t23-/m0/s1
InChIKeyCWBRFTFKIODORX-QHCPKHFHSA-N
MW429.52 g/mol
LogP4.60
Rot. Bonds7

About (3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide

(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 51725796) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID51725796
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2ccccc2N2CCc3ccccc32)NC(C)=O)cc1
InChIInChI=1S/C26H27N3O3/c1-18(30)27-23(19-11-13-21(32-2)14-12-19)17-26(31)28-22-8-4-6-10-25(22)29-16-15-20-7-3-5-9-24(20)29/h3-14,23H,15-17H2,1-2H3,(H,27,30)(H,28,31)/t23-/m0/s1
InChIKeyCWBRFTFKIODORX-QHCPKHFHSA-N
XLogP4.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17436814
N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]acetamide
CID 51956415
3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 78878766
3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 51314280
3-acetamido-3-(4-methoxyphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56518375
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 40812809
(2S)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-ethoxypropanamide
CID 95667067

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide (CID 51725796) is (3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc([C@H](CC(=O)Nc2ccccc2N2CCc3ccccc32)NC(C)=O)cc1.
What is the InChIKey of (3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is CWBRFTFKIODORX-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18(30)27-23(19-11-13-21(32-2)14-12-19)17-26(31)28-22-8-4-6-10-25(22)29-16-15-20-7-3-5-9-24(20)29/h3-14,23H,15-17H2,1-2H3,(H,27,30)(H,28,31)/t23-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 429.52 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 51725796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).