N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide

C22H26N2O3 — CID 11748904

IUPACN-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
SMILESCCOC(OCC)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-3-26-22(27-4-2)20(24-21(25)16-10-6-5-7-11-16)14-17-15-23-19-13-9-8-12-18(17)19/h5-13,15,20,22-23H,3-4,14H2,1-2H3,(H,24,25)
InChIKeyHTDDVXXUMKNCLX-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.91
Rot. Bonds9

About N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide

N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide (PubChem CID 11748904) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
PubChem CID11748904
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
SMILESCCOC(OCC)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-3-26-22(27-4-2)20(24-21(25)16-10-6-5-7-11-16)14-17-15-23-19-13-9-8-12-18(17)19/h5-13,15,20,22-23H,3-4,14H2,1-2H3,(H,24,25)
InChIKeyHTDDVXXUMKNCLX-UHFFFAOYSA-N
XLogP3.91
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide
CID 582713
methyl (2S)-3-(1H-indol-3-yl)-2-[(4-phenylbenzoyl)amino]propanoate
CID 7036310
N-[(2S)-1-[cyano(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 87849413
N-[3-(1H-indol-3-yl)-2-methylpropyl]benzamide
CID 13101578
3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide
CID 59897088
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992
(2R)-2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 7303855
(2R)-2-[(2-ethoxybenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 95066275
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
methyl 2-[(4-aminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 22418639

Frequently Asked Questions

What is the IUPAC name of N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?
The IUPAC name of N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide (CID 11748904) is N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?
The canonical SMILES for N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide is CCOC(OCC)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?
The InChIKey is HTDDVXXUMKNCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-26-22(27-4-2)20(24-21(25)16-10-6-5-7-11-16)14-17-15-23-19-13-9-8-12-18(17)19/h5-13,15,20,22-23H,3-4,14H2,1-2H3,(H,24,25).
What are the key properties of N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide?
N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-diethoxy-3-(1H-indol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 11748904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).