N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide

C21H26N2O — CID 109042621

IUPACN-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN1c2ccccc2CC1C)c1cccc(C)c1
InChIInChI=1S/C21H26N2O/c1-4-22(19-10-7-8-16(2)14-19)21(24)12-13-23-17(3)15-18-9-5-6-11-20(18)23/h5-11,14,17H,4,12-13,15H2,1-3H3
InChIKeyGAHFVXMMTYONJM-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.19
Rot. Bonds5

About N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide

N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide (PubChem CID 109042621) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide
PubChem CID109042621
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCN1c2ccccc2CC1C)c1cccc(C)c1
InChIInChI=1S/C21H26N2O/c1-4-22(19-10-7-8-16(2)14-19)21(24)12-13-23-17(3)15-18-9-5-6-11-20(18)23/h5-11,14,17H,4,12-13,15H2,1-3H3
InChIKeyGAHFVXMMTYONJM-UHFFFAOYSA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 109011137
N-ethyl-5-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109246296
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)acetamide
CID 113167631
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853340
N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
CID 94824067
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109042618
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide?
The IUPAC name of N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide (CID 109042621) is N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide is CCN(C(=O)CCN1c2ccccc2CC1C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide?
The InChIKey is GAHFVXMMTYONJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-4-22(19-10-7-8-16(2)14-19)21(24)12-13-23-17(3)15-18-9-5-6-11-20(18)23/h5-11,14,17H,4,12-13,15H2,1-3H3.
What are the key properties of N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide?
N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109042621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).