2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide

C15H21N3O — CID 102915184

IUPAC2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide
SMILESCC(C)(C)NCc1cccc2ccn(CC(N)=O)c12
InChIInChI=1S/C15H21N3O/c1-15(2,3)17-9-12-6-4-5-11-7-8-18(14(11)12)10-13(16)19/h4-8,17H,9-10H2,1-3H3,(H2,16,19)
InChIKeyMNLPULGKUBPWPQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.01
Rot. Bonds4

About 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide

2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide (PubChem CID 102915184) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide
PubChem CID102915184
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide
SMILESCC(C)(C)NCc1cccc2ccn(CC(N)=O)c12
InChIInChI=1S/C15H21N3O/c1-15(2,3)17-9-12-6-4-5-11-7-8-18(14(11)12)10-13(16)19/h4-8,17H,9-10H2,1-3H3,(H2,16,19)
InChIKeyMNLPULGKUBPWPQ-UHFFFAOYSA-N
XLogP2.01
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate
CID 102915277
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine
CID 79185979
4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102915190
4-[7-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102915153
2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine
CID 102915151
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
3-[7-(ethylaminomethyl)indol-1-yl]-2,2-dimethylpropanoic acid
CID 102914180
2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide
CID 102913928
methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
CID 102912191
2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide
CID 102913711
ethyl 2-[7-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 102914953

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide (CID 102915184) is 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide is CC(C)(C)NCc1cccc2ccn(CC(N)=O)c12.
What is the InChIKey of 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide?
The InChIKey is MNLPULGKUBPWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)17-9-12-6-4-5-11-7-8-18(14(11)12)10-13(16)19/h4-8,17H,9-10H2,1-3H3,(H2,16,19).
What are the key properties of 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide?
2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide is sourced from PubChem (CID 102915184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).