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

C21H29N3O3 — CID 25127802

IUPAC(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21
InChIInChI=1S/C21H29N3O3/c1-26-11-4-10-23-14-16(18-5-2-3-6-19(18)23)15-24(17-7-8-17)21(25)20-13-22-9-12-27-20/h2-3,5-6,14,17,20,22H,4,7-13,15H2,1H3/t20-/m1/s1
InChIKeyOHELVELDNLQVJI-HXUWFJFHSA-N
MW371.48 g/mol
LogP2.16
Rot. Bonds8

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

(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide (PubChem CID 25127802) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide
PubChem CID25127802
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide
SMILESCOCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21
InChIInChI=1S/C21H29N3O3/c1-26-11-4-10-23-14-16(18-5-2-3-6-19(18)23)15-24(17-7-8-17)21(25)20-13-22-9-12-27-20/h2-3,5-6,14,17,20,22H,4,7-13,15H2,1H3/t20-/m1/s1
InChIKeyOHELVELDNLQVJI-HXUWFJFHSA-N
XLogP2.16
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.16
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)indol-3-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide (CID 25127802) is (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide is COCCCn1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)c2ccccc21.
What is the InChIKey of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide?
The InChIKey is OHELVELDNLQVJI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-26-11-4-10-23-14-16(18-5-2-3-6-19(18)23)15-24(17-7-8-17)21(25)20-13-22-9-12-27-20/h2-3,5-6,14,17,20,22H,4,7-13,15H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]morpholine-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.16, 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)indol-3-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 25127802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).