N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C22H26N2O3 — CID 47047894

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NC(C)c3cc(C)ccc3OC)ccc21
InChIInChI=1S/C22H26N2O3/c1-5-21(25)24-11-10-16-13-17(7-8-19(16)24)22(26)23-15(3)18-12-14(2)6-9-20(18)27-4/h6-9,12-13,15H,5,10-11H2,1-4H3,(H,23,26)
InChIKeyBRTQZGJLNSDEQR-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.79
Rot. Bonds5

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 47047894) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID47047894
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NC(C)c3cc(C)ccc3OC)ccc21
InChIInChI=1S/C22H26N2O3/c1-5-21(25)24-11-10-16-13-17(7-8-19(16)24)22(26)23-15(3)18-12-14(2)6-9-20(18)27-4/h6-9,12-13,15H,5,10-11H2,1-4H3,(H,23,26)
InChIKeyBRTQZGJLNSDEQR-UHFFFAOYSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9262557
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55892243
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789611
4-cyano-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262341
6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide
CID 52501301
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9262400
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
4-ethoxy-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-nitrobenzamide
CID 9264106

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 47047894) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)NC(C)c3cc(C)ccc3OC)ccc21.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is BRTQZGJLNSDEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-5-21(25)24-11-10-16-13-17(7-8-19(16)24)22(26)23-15(3)18-12-14(2)6-9-20(18)27-4/h6-9,12-13,15H,5,10-11H2,1-4H3,(H,23,26).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 47047894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).