5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide

C14H18N2O3 — CID 6926471

IUPAC5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C14H18N2O3/c1-9(8-18-2)15-14(17)13-7-10-6-11(19-3)4-5-12(10)16-13/h4-7,9,16H,8H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeyLPLUMFPBJGLPKS-VIFPVBQESA-N
MW262.31 g/mol
LogP1.94
Rot. Bonds5

About 5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide

5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 6926471) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
PubChem CID6926471
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C14H18N2O3/c1-9(8-18-2)15-14(17)13-7-10-6-11(19-3)4-5-12(10)16-13/h4-7,9,16H,8H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeyLPLUMFPBJGLPKS-VIFPVBQESA-N
XLogP1.94
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate
CID 35439173
N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790517
5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide
CID 3921208
5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55579430
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681
2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 97087681
N-(1-methoxypropan-2-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2823670
N-[(2S)-1-methoxypropan-2-yl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 6934364
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide (CID 6926471) is 5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide is COC[C@H](C)NC(=O)c1cc2cc(OC)ccc2[nH]1.
What is the InChIKey of 5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is LPLUMFPBJGLPKS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(8-18-2)15-14(17)13-7-10-6-11(19-3)4-5-12(10)16-13/h4-7,9,16H,8H2,1-3H3,(H,15,17)/t9-/m0/s1.
What are the key properties of 5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide?
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 6926471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).