N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide

C22H27N3O2 — CID 113131813

IUPACN-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1c2ccccc2CC1C)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H27N3O2/c1-16-15-18-7-5-6-8-21(18)25(16)22(27)13-14-24(17(2)26)20-11-9-19(10-12-20)23(3)4/h5-12,16H,13-15H2,1-4H3
InChIKeyVMWUSMUQWZOCKO-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.47
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide

N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide (PubChem CID 113131813) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
PubChem CID113131813
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1c2ccccc2CC1C)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H27N3O2/c1-16-15-18-7-5-6-8-21(18)25(16)22(27)13-14-24(17(2)26)20-11-9-19(10-12-20)23(3)4/h5-12,16H,13-15H2,1-4H3
InChIKeyVMWUSMUQWZOCKO-UHFFFAOYSA-N
XLogP3.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
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-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129931
N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113128090
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113116087
N-(2-methoxyethyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113117047
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120320
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 113131714
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)acetamide
CID 113167631
N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113121038
N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142877
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
N-(2,6-difluorophenyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113181536
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide (CID 113131813) is N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1c2ccccc2CC1C)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The InChIKey is VMWUSMUQWZOCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-15-18-7-5-6-8-21(18)25(16)22(27)13-14-24(17(2)26)20-11-9-19(10-12-20)23(3)4/h5-12,16H,13-15H2,1-4H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113131813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).