6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide

C18H25N3O3 — CID 124855535

IUPAC6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC[C@@H]3COCCN(C)C3)n(C)c2c1
InChIInChI=1S/C18H25N3O3/c1-20-6-7-24-12-13(11-20)10-19-18(22)17-8-14-4-5-15(23-3)9-16(14)21(17)2/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyZFCRLWPDXXNBNL-ZDUSSCGKSA-N
MW331.42 g/mol
LogP1.49
Rot. Bonds4

About 6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide

6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide (PubChem CID 124855535) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide
PubChem CID124855535
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC[C@@H]3COCCN(C)C3)n(C)c2c1
InChIInChI=1S/C18H25N3O3/c1-20-6-7-24-12-13(11-20)10-19-18(22)17-8-14-4-5-15(23-3)9-16(14)21(17)2/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyZFCRLWPDXXNBNL-ZDUSSCGKSA-N
XLogP1.49
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide?
The IUPAC name of 6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide (CID 124855535) is 6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide?
The canonical SMILES for 6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide is COc1ccc2cc(C(=O)NC[C@@H]3COCCN(C)C3)n(C)c2c1.
What is the InChIKey of 6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide?
The InChIKey is ZFCRLWPDXXNBNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20-6-7-24-12-13(11-20)10-19-18(22)17-8-14-4-5-15(23-3)9-16(14)21(17)2/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide?
6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-N-[[(6S)-4-methyl-1,4-oxazepan-6-yl]methyl]indole-2-carboxamide is sourced from PubChem (CID 124855535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).