3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide

C21H25N3O2 — CID 54845787

IUPAC3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-23(2)20(25)12-9-16-7-10-18(11-8-16)22-15-21(26)24-14-13-17-5-3-4-6-19(17)24/h3-8,10-11,22H,9,12-15H2,1-2H3
InChIKeyDJNUAZJKAJSSEO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.71
Rot. Bonds6

About 3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide

3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54845787) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54845787
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-23(2)20(25)12-9-16-7-10-18(11-8-16)22-15-21(26)24-14-13-17-5-3-4-6-19(17)24/h3-8,10-11,22H,9,12-15H2,1-2H3
InChIKeyDJNUAZJKAJSSEO-UHFFFAOYSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838496
1-(2,3-dihydroindol-1-yl)-2-[[4-(dimethylamino)phenyl]methylamino]ethanone
CID 167826040
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
3-(2,3-dihydroindol-1-yl)-N-methyl-3-oxo-N-phenylpropanamide
CID 108953153

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54845787) is 3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1ccc(NCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is DJNUAZJKAJSSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(2)20(25)12-9-16-7-10-18(11-8-16)22-15-21(26)24-14-13-17-5-3-4-6-19(17)24/h3-8,10-11,22H,9,12-15H2,1-2H3.
What are the key properties of 3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54845787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).