N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide

C18H24N6O2 — CID 92625926

IUPACN-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide
SMILESCOc1ccc2c(c1)c(C[C@H](C)NC(=O)C(C)(C)n1cnnn1)cn2C
InChIInChI=1S/C18H24N6O2/c1-12(20-17(25)18(2,3)24-11-19-21-22-24)8-13-10-23(4)16-7-6-14(26-5)9-15(13)16/h6-7,9-12H,8H2,1-5H3,(H,20,25)/t12-/m0/s1
InChIKeyVLANBWVKLUODIH-LBPRGKRZSA-N
MW356.43 g/mol
LogP1.66
Rot. Bonds6

About N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide

N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide (PubChem CID 92625926) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide
PubChem CID92625926
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide
SMILESCOc1ccc2c(c1)c(C[C@H](C)NC(=O)C(C)(C)n1cnnn1)cn2C
InChIInChI=1S/C18H24N6O2/c1-12(20-17(25)18(2,3)24-11-19-21-22-24)8-13-10-23(4)16-7-6-14(26-5)9-15(13)16/h6-7,9-12H,8H2,1-5H3,(H,20,25)/t12-/m0/s1
InChIKeyVLANBWVKLUODIH-LBPRGKRZSA-N
XLogP1.66
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 92628434
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92627363
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 46974701
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46977857
N-[1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46975396
4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide
CID 92614108
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 92628240
N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626130
N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
CID 10248227
3-(5-methoxy-1-propan-2-ylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881645
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide
CID 146094497

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide (CID 92625926) is N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide is COc1ccc2c(c1)c(C[C@H](C)NC(=O)C(C)(C)n1cnnn1)cn2C.
What is the InChIKey of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is VLANBWVKLUODIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12(20-17(25)18(2,3)24-11-19-21-22-24)8-13-10-23(4)16-7-6-14(26-5)9-15(13)16/h6-7,9-12H,8H2,1-5H3,(H,20,25)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide?
N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 356.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]-2-methyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 92625926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).