N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide

C23H31N3O — CID 109042618

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN2c3ccccc3CC2C)c(C)c1
InChIInChI=1S/C23H31N3O/c1-5-25(6-2)20-11-12-21(17(3)15-20)24-23(27)13-14-26-18(4)16-19-9-7-8-10-22(19)26/h7-12,15,18H,5-6,13-14,16H2,1-4H3,(H,24,27)
InChIKeyUANPACJFAALZRZ-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.62
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide

N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide (PubChem CID 109042618) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
PubChem CID109042618
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN2c3ccccc3CC2C)c(C)c1
InChIInChI=1S/C23H31N3O/c1-5-25(6-2)20-11-12-21(17(3)15-20)24-23(27)13-14-26-18(4)16-19-9-7-8-10-22(19)26/h7-12,15,18H,5-6,13-14,16H2,1-4H3,(H,24,27)
InChIKeyUANPACJFAALZRZ-UHFFFAOYSA-N
XLogP4.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034896
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-(4-ethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109036323
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N-(5-fluoro-2-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 18084849
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
N-cycloheptyl-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109031533
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide (CID 109042618) is N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide is CCN(CC)c1ccc(NC(=O)CCN2c3ccccc3CC2C)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide?
The InChIKey is UANPACJFAALZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-5-25(6-2)20-11-12-21(17(3)15-20)24-23(27)13-14-26-18(4)16-19-9-7-8-10-22(19)26/h7-12,15,18H,5-6,13-14,16H2,1-4H3,(H,24,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide has a molecular weight of 365.52 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide is sourced from PubChem (CID 109042618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).