(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide

C22H31N3O3 — CID 59494958

IUPAC(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)cc21
InChIInChI=1S/C22H31N3O3/c1-16-4-7-19-17(14-24(20(19)12-16)9-3-10-27-2)15-25(18-5-6-18)22(26)21-13-23-8-11-28-21/h4,7,12,14,18,21,23H,3,5-6,8-11,13,15H2,1-2H3/t21-/m1/s1
InChIKeyIPWYLXUUEWIMPI-OAQYLSRUSA-N
MW385.51 g/mol
LogP2.47
Rot. Bonds8

About (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide (PubChem CID 59494958) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide
PubChem CID59494958
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)cc21
InChIInChI=1S/C22H31N3O3/c1-16-4-7-19-17(14-24(20(19)12-16)9-3-10-27-2)15-25(18-5-6-18)22(26)21-13-23-8-11-28-21/h4,7,12,14,18,21,23H,3,5-6,8-11,13,15H2,1-2H3/t21-/m1/s1
InChIKeyIPWYLXUUEWIMPI-OAQYLSRUSA-N
XLogP2.47
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide (CID 59494958) is (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide is COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccc(C)cc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide?
The InChIKey is IPWYLXUUEWIMPI-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-4-7-19-17(14-24(20(19)12-16)9-3-10-27-2)15-25(18-5-6-18)22(26)21-13-23-8-11-28-21/h4,7,12,14,18,21,23H,3,5-6,8-11,13,15H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-6-methylindol-3-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 59494958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).