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

C23H29N3O2 — CID 43049982

IUPAC3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(C)C(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C23H29N3O2/c1-15(2)13-22(27)25-20-11-9-19(10-12-20)24-17(4)23(28)26-16(3)14-18-7-5-6-8-21(18)26/h5-12,15-17,24H,13-14H2,1-4H3,(H,25,27)
InChIKeyDNCMHPWGUAGVPE-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.45
Rot. Bonds6

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

3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide (PubChem CID 43049982) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
PubChem CID43049982
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(C)C(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C23H29N3O2/c1-15(2)13-22(27)25-20-11-9-19(10-12-20)24-17(4)23(28)26-16(3)14-18-7-5-6-8-21(18)26/h5-12,15-17,24H,13-14H2,1-4H3,(H,25,27)
InChIKeyDNCMHPWGUAGVPE-UHFFFAOYSA-N
XLogP4.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 37303795
methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 95171946
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2462085
N-[(2R)-4-amino-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1,4-dioxobutan-2-yl]-3-methylbutanamide
CID 129358692
4-fluoro-N-[4-[[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 30935060
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 31010331
2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one
CID 32786814
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2432568
5-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122058030
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide (CID 43049982) is 3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(C)C(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of 3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide?
The InChIKey is DNCMHPWGUAGVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15(2)13-22(27)25-20-11-9-19(10-12-20)24-17(4)23(28)26-16(3)14-18-7-5-6-8-21(18)26/h5-12,15-17,24H,13-14H2,1-4H3,(H,25,27).
What are the key properties of 3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide?
3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide has a molecular weight of 379.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide is sourced from PubChem (CID 43049982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).