2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide

C17H22N6O — CID 99606591

IUPAC2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide
SMILESCCc1cccc2c(CC(=O)N(C)C[C@H](C)c3nn[nH]n3)c[nH]c12
InChIInChI=1S/C17H22N6O/c1-4-12-6-5-7-14-13(9-18-16(12)14)8-15(24)23(3)10-11(2)17-19-21-22-20-17/h5-7,9,11,18H,4,8,10H2,1-3H3,(H,19,20,21,22)/t11-/m0/s1
InChIKeyRMJVXBLKPMYTQQ-NSHDSACASA-N
MW326.40 g/mol
LogP2.05
Rot. Bonds6

About 2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide

2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide (PubChem CID 99606591) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide
PubChem CID99606591
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide
SMILESCCc1cccc2c(CC(=O)N(C)C[C@H](C)c3nn[nH]n3)c[nH]c12
InChIInChI=1S/C17H22N6O/c1-4-12-6-5-7-14-13(9-18-16(12)14)8-15(24)23(3)10-11(2)17-19-21-22-20-17/h5-7,9,11,18H,4,8,10H2,1-3H3,(H,19,20,21,22)/t11-/m0/s1
InChIKeyRMJVXBLKPMYTQQ-NSHDSACASA-N
XLogP2.05
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide (CID 99606591) is 2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide is CCc1cccc2c(CC(=O)N(C)C[C@H](C)c3nn[nH]n3)c[nH]c12.
What is the InChIKey of 2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide?
The InChIKey is RMJVXBLKPMYTQQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N6O/c1-4-12-6-5-7-14-13(9-18-16(12)14)8-15(24)23(3)10-11(2)17-19-21-22-20-17/h5-7,9,11,18H,4,8,10H2,1-3H3,(H,19,20,21,22)/t11-/m0/s1.
What are the key properties of 2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide?
2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1H-indol-3-yl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]acetamide is sourced from PubChem (CID 99606591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).