(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide

About (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide (PubChem CID 90065236) has the molecular formula C21H35N3O4 and a molecular weight of 393.53 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name	(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide
PubChem CID	90065236
Molecular Formula	C21H35N3O4
Molecular Weight	393.53 g/mol
Exact Mass	393.26
IUPAC Name	(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide
SMILES	COCCCCC1C=C([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)C=C(OC)N1
InChI	InChI=1S/C21H35N3O4/c1-15(24(18-7-8-18)21(25)19-14-22-9-11-28-19)16-12-17(6-4-5-10-26-2)23-20(13-16)27-3/h12-13,15,17-19,22-23H,4-11,14H2,1-3H3/t15-,17?,19-/m1/s1
InChIKey	OYUWXADBSIDBSI-WUKPUPCQSA-N
XLogP	1.56
TPSA	72.06 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.53
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide?

The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide (CID 90065236) is (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide.

What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide?

The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide is COCCCCC1C=C([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)C=C(OC)N1.

What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide?

The InChIKey is OYUWXADBSIDBSI-WUKPUPCQSA-N. The full InChI is InChI=1S/C21H35N3O4/c1-15(24(18-7-8-18)21(25)19-14-22-9-11-28-19)16-12-17(6-4-5-10-26-2)23-20(13-16)27-3/h12-13,15,17-19,22-23H,4-11,14H2,1-3H3/t15-,17?,19-/m1/s1.

What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide?

(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 1.56, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-2-(4-methoxybutyl)-1,2-dihydropyridin-4-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 90065236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).