2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide

C23H27N3O2 — CID 46990395

IUPAC2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide
SMILESCCOc1cccc(CN(Cc2cn(CC(N)=O)c3ccccc23)C2CC2)c1
InChIInChI=1S/C23H27N3O2/c1-2-28-20-7-5-6-17(12-20)13-25(19-10-11-19)14-18-15-26(16-23(24)27)22-9-4-3-8-21(18)22/h3-9,12,15,19H,2,10-11,13-14,16H2,1H3,(H2,24,27)
InChIKeyMOBVEVJNLFSYFY-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.69
Rot. Bonds9

About 2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide

2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide (PubChem CID 46990395) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide
PubChem CID46990395
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide
SMILESCCOc1cccc(CN(Cc2cn(CC(N)=O)c3ccccc23)C2CC2)c1
InChIInChI=1S/C23H27N3O2/c1-2-28-20-7-5-6-17(12-20)13-25(19-10-11-19)14-18-15-26(16-23(24)27)22-9-4-3-8-21(18)22/h3-9,12,15,19H,2,10-11,13-14,16H2,1H3,(H2,24,27)
InChIKeyMOBVEVJNLFSYFY-UHFFFAOYSA-N
XLogP3.69
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
CID 46967190
N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
CID 39396373
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494835
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 46996074
1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea
CID 126442915
N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
CID 66184588
2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
2-[3-[[(3S)-3-propoxypiperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51500199
1-cyclopropyl-2-[(3-ethoxyphenyl)methyl]-1-methylguanidine
CID 110029884
3-[(3-ethoxyphenyl)methyl]-1-phenylindole
CID 26367926
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide (CID 46990395) is 2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide is CCOc1cccc(CN(Cc2cn(CC(N)=O)c3ccccc23)C2CC2)c1.
What is the InChIKey of 2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide?
The InChIKey is MOBVEVJNLFSYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-28-20-7-5-6-17(12-20)13-25(19-10-11-19)14-18-15-26(16-23(24)27)22-9-4-3-8-21(18)22/h3-9,12,15,19H,2,10-11,13-14,16H2,1H3,(H2,24,27).
What are the key properties of 2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide?
2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[cyclopropyl-[(3-ethoxyphenyl)methyl]amino]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 46990395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).