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

C20H24N2O — CID 112810869

IUPAC2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)C(C)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-15-8-4-5-10-18(15)14-21(3)20(23)16(2)22-13-12-17-9-6-7-11-19(17)22/h4-11,16H,12-14H2,1-3H3
InChIKeyDXGSTHBHDMWAIB-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.40
Rot. Bonds4

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

2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 112810869) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID112810869
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)C(C)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O/c1-15-8-4-5-10-18(15)14-21(3)20(23)16(2)22-13-12-17-9-6-7-11-19(17)22/h4-11,16H,12-14H2,1-3H3
InChIKeyDXGSTHBHDMWAIB-UHFFFAOYSA-N
XLogP3.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8704392
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 111543826
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-phenyl-1,4-diazepan-1-yl)propanamide
CID 112843115
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine
CID 111286971
(2R)-2-(2,3-dihydroindol-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 9432308
(2R)-N-(1-cyanocyclohexyl)-2-(2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 9432014
N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 112811168
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
3-methyl-2-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]sulfanylbutanoic acid
CID 105354282

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide (CID 112810869) is 2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CN(C)C(=O)C(C)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is DXGSTHBHDMWAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-8-4-5-10-18(15)14-21(3)20(23)16(2)22-13-12-17-9-6-7-11-19(17)22/h4-11,16H,12-14H2,1-3H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 308.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 112810869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).