N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide

C17H25N3O — CID 102661728

IUPACN-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
SMILESCNC(C)c1ccc2c(c1)CCN2CC(=O)N(C)C1CC1
InChIInChI=1S/C17H25N3O/c1-12(18-2)13-4-7-16-14(10-13)8-9-20(16)11-17(21)19(3)15-5-6-15/h4,7,10,12,15,18H,5-6,8-9,11H2,1-3H3
InChIKeyKLWUUJVYRMNAMZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.95
Rot. Bonds5

About N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide

N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide (PubChem CID 102661728) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
PubChem CID102661728
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
SMILESCNC(C)c1ccc2c(c1)CCN2CC(=O)N(C)C1CC1
InChIInChI=1S/C17H25N3O/c1-12(18-2)13-4-7-16-14(10-13)8-9-20(16)11-17(21)19(3)15-5-6-15/h4,7,10,12,15,18H,5-6,8-9,11H2,1-3H3
InChIKeyKLWUUJVYRMNAMZ-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661662
N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661706
1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661621
3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 102661646
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 61489538
N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661702
1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661632
2-methyl-4-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661733
1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661638
N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661757
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propanoic acid
CID 115106001
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661692

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide (CID 102661728) is N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide is CNC(C)c1ccc2c(c1)CCN2CC(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is KLWUUJVYRMNAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(18-2)13-4-7-16-14(10-13)8-9-20(16)11-17(21)19(3)15-5-6-15/h4,7,10,12,15,18H,5-6,8-9,11H2,1-3H3.
What are the key properties of N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 102661728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).