1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide

C16H20N2O2 — CID 94201114

IUPAC1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NC[C@@H]2CCCCO2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-18-11-14(13-7-2-3-8-15(13)18)16(19)17-10-12-6-4-5-9-20-12/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeySVCJUYYTSMTJFV-LBPRGKRZSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds3

About 1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide

1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide (PubChem CID 94201114) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
PubChem CID94201114
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
SMILESCn1cc(C(=O)NC[C@@H]2CCCCO2)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-18-11-14(13-7-2-3-8-15(13)18)16(19)17-10-12-6-4-5-9-20-12/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeySVCJUYYTSMTJFV-LBPRGKRZSA-N
XLogP2.48
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
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CID 64911107
N-[(4-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 106122361
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-(2-methoxyethyl)-N-[[(2R)-oxolan-2-yl]methyl]indole-4-carboxamide
CID 96557798
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
1-chloro-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765879
4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide
CID 58975069
2-methoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 41050435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide (CID 94201114) is 1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide is Cn1cc(C(=O)NC[C@@H]2CCCCO2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide?
The InChIKey is SVCJUYYTSMTJFV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-11-14(13-7-2-3-8-15(13)18)16(19)17-10-12-6-4-5-9-20-12/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of 1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide?
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide is sourced from PubChem (CID 94201114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).