N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide

C20H23N3O2 — CID 86861188

IUPACN-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(NC(C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-14(20(25)23-13-12-16-6-4-5-7-19(16)23)21-17-8-10-18(11-9-17)22(3)15(2)24/h4-11,14,21H,12-13H2,1-3H3
InChIKeyIMDPVSDQSLQWQG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.06
Rot. Bonds4

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

N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide (PubChem CID 86861188) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide
PubChem CID86861188
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(NC(C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O2/c1-14(20(25)23-13-12-16-6-4-5-7-19(16)23)21-17-8-10-18(11-9-17)22(3)15(2)24/h4-11,14,21H,12-13H2,1-3H3
InChIKeyIMDPVSDQSLQWQG-UHFFFAOYSA-N
XLogP3.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233
(2R)-2-(1,3-benzodioxol-5-ylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7509416
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 37303828
N-[4-[[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268249
1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one
CID 87033332
N-[4-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41119310
N-[4-[[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41119311
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
methyl 5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-nitrobenzoate
CID 133285144
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 133285179

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide (CID 86861188) is N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(NC(C)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide?
The InChIKey is IMDPVSDQSLQWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(20(25)23-13-12-16-6-4-5-7-19(16)23)21-17-8-10-18(11-9-17)22(3)15(2)24/h4-11,14,21H,12-13H2,1-3H3.
What are the key properties of N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide?
N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide has a molecular weight of 337.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 86861188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).