N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide

C16H23N3O — CID 66407991

IUPACN-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(CNC(C)C)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-17-16(20)11-19-10-13(9-18-12(2)3)14-7-5-6-8-15(14)19/h5-8,10,12,18H,4,9,11H2,1-3H3,(H,17,20)
InChIKeyRQCCDWGRLWOHOF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds6

About N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide

N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide (PubChem CID 66407991) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
PubChem CID66407991
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(CNC(C)C)c2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-17-16(20)11-19-10-13(9-18-12(2)3)14-7-5-6-8-15(14)19/h5-8,10,12,18H,4,9,11H2,1-3H3,(H,17,20)
InChIKeyRQCCDWGRLWOHOF-UHFFFAOYSA-N
XLogP2.28
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315
N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
CID 66401524
N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66411037
N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
CID 114477034
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66401597
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
N-methyl-2-[3-(propylaminomethyl)indol-1-yl]acetamide
CID 66410167
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N-(6-aminohexyl)-2-(3-ethylindol-1-yl)acetamide
CID 142041983

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide (CID 66407991) is N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide is CCNC(=O)Cn1cc(CNC(C)C)c2ccccc21.
What is the InChIKey of N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide?
The InChIKey is RQCCDWGRLWOHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-17-16(20)11-19-10-13(9-18-12(2)3)14-7-5-6-8-15(14)19/h5-8,10,12,18H,4,9,11H2,1-3H3,(H,17,20).
What are the key properties of N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide?
N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide is sourced from PubChem (CID 66407991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).