N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

C23H27N3O — CID 51565835

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESCN(CC(=O)NCCc1c[nH]c2ccccc12)[C@H]1CCCc2ccccc21
InChIInChI=1S/C23H27N3O/c1-26(22-12-6-8-17-7-2-3-10-20(17)22)16-23(27)24-14-13-18-15-25-21-11-5-4-9-19(18)21/h2-5,7,9-11,15,22,25H,6,8,12-14,16H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyFBAAQKPFDHBSSS-QFIPXVFZSA-N
MW361.49 g/mol
LogP3.84
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (PubChem CID 51565835) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
PubChem CID51565835
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESCN(CC(=O)NCCc1c[nH]c2ccccc12)[C@H]1CCCc2ccccc21
InChIInChI=1S/C23H27N3O/c1-26(22-12-6-8-17-7-2-3-10-20(17)22)16-23(27)24-14-13-18-15-25-21-11-5-4-9-19(18)21/h2-5,7,9-11,15,22,25H,6,8,12-14,16H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyFBAAQKPFDHBSSS-QFIPXVFZSA-N
XLogP3.84
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 51565254
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 134043190
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260785
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46420164
N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 8681300
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8554460
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
CID 8805917
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 108995075

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (CID 51565835) is N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is CN(CC(=O)NCCc1c[nH]c2ccccc12)[C@H]1CCCc2ccccc21.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The InChIKey is FBAAQKPFDHBSSS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27N3O/c1-26(22-12-6-8-17-7-2-3-10-20(17)22)16-23(27)24-14-13-18-15-25-21-11-5-4-9-19(18)21/h2-5,7,9-11,15,22,25H,6,8,12-14,16H2,1H3,(H,24,27)/t22-/m0/s1.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide has a molecular weight of 361.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is sourced from PubChem (CID 51565835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).