N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide

C17H23N3O — CID 102914268

IUPACN-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
SMILESCCCNCc1cccc2ccn(CC(=O)NC3CC3)c12
InChIInChI=1S/C17H23N3O/c1-2-9-18-11-14-5-3-4-13-8-10-20(17(13)14)12-16(21)19-15-6-7-15/h3-5,8,10,15,18H,2,6-7,9,11-12H2,1H3,(H,19,21)
InChIKeyNSPBKACWDYOVRZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.42
Rot. Bonds7

About N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide

N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide (PubChem CID 102914268) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
PubChem CID102914268
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
SMILESCCCNCc1cccc2ccn(CC(=O)NC3CC3)c12
InChIInChI=1S/C17H23N3O/c1-2-9-18-11-14-5-3-4-13-8-10-20(17(13)14)12-16(21)19-15-6-7-15/h3-5,8,10,15,18H,2,6-7,9,11-12H2,1H3,(H,19,21)
InChIKeyNSPBKACWDYOVRZ-UHFFFAOYSA-N
XLogP2.42
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401192
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
CID 102914354
N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
CID 102914380
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102914953
2-[7-(propylaminomethyl)indol-1-yl]acetonitrile
CID 102914342
3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102914318
N-butyl-2-(7-ethylindol-1-yl)acetamide
CID 116618934
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
methyl 2-[7-[(2-methoxyethylamino)methyl]indol-1-yl]acetate
CID 102915321
3-[7-[(cyclopropylamino)methyl]indol-1-yl]-N-ethylpropanamide
CID 102914922

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide (CID 102914268) is N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide is CCCNCc1cccc2ccn(CC(=O)NC3CC3)c12.
What is the InChIKey of N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide?
The InChIKey is NSPBKACWDYOVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-9-18-11-14-5-3-4-13-8-10-20(17(13)14)12-16(21)19-15-6-7-15/h3-5,8,10,15,18H,2,6-7,9,11-12H2,1H3,(H,19,21).
What are the key properties of N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide?
N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide is sourced from PubChem (CID 102914268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).