N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C16H22N2O3 — CID 124861217

IUPACN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C16H22N2O3/c1-4-10(2)14(9-19)18-16(20)13-8-11-12(17-13)6-5-7-15(11)21-3/h5-8,10,14,17,19H,4,9H2,1-3H3,(H,18,20)/t10-,14+/m0/s1
InChIKeyGUKOWRKERJGDMO-IINYFYTJSA-N
MW290.36 g/mol
LogP2.31
Rot. Bonds6

About N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 124861217) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID124861217
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C16H22N2O3/c1-4-10(2)14(9-19)18-16(20)13-8-11-12(17-13)6-5-7-15(11)21-3/h5-8,10,14,17,19H,4,9H2,1-3H3,(H,18,20)/t10-,14+/m0/s1
InChIKeyGUKOWRKERJGDMO-IINYFYTJSA-N
XLogP2.31
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
N-[(2R,3S)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 172948494
N-[(2S)-1-cyclopropyl-3-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167238193
3-(3,4-dimethoxyphenyl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124853927
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124862464
3-(2,5-dimethoxyphenyl)-N-(1-hydroxy-3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 91822295
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
N-[1-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166744875
N-[(2R)-1-[[(2S)-4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166611577
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
N-[(2S)-1-[[1-cyano-2-(2-oxo-1H-pyridin-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162466407

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 124861217) is N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is CC[C@H](C)[C@@H](CO)NC(=O)c1cc2c(OC)cccc2[nH]1.
What is the InChIKey of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is GUKOWRKERJGDMO-IINYFYTJSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-10(2)14(9-19)18-16(20)13-8-11-12(17-13)6-5-7-15(11)21-3/h5-8,10,14,17,19H,4,9H2,1-3H3,(H,18,20)/t10-,14+/m0/s1.
What are the key properties of N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 124861217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).