N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

C25H33N3O2 — CID 110233032

IUPACN-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)(C)CN1CCOC(Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H33N3O2/c1-24(2,3)17-28-13-14-30-25(18-28,23(29)27-22-7-8-22)16-19-5-4-6-21(15-19)20-9-11-26-12-10-20/h4-6,9-12,15,22H,7-8,13-14,16-18H2,1-3H3,(H,27,29)
InChIKeyCMJRTWGVGPYGGG-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.69
Rot. Bonds6

About N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110233032) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110233032
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)(C)CN1CCOC(Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H33N3O2/c1-24(2,3)17-28-13-14-30-25(18-28,23(29)27-22-7-8-22)16-19-5-4-6-21(15-19)20-9-11-26-12-10-20/h4-6,9-12,15,22H,7-8,13-14,16-18H2,1-3H3,(H,27,29)
InChIKeyCMJRTWGVGPYGGG-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (CID 110233032) is N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is CC(C)(C)CN1CCOC(Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is CMJRTWGVGPYGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-24(2,3)17-28-13-14-30-25(18-28,23(29)27-22-7-8-22)16-19-5-4-6-21(15-19)20-9-11-26-12-10-20/h4-6,9-12,15,22H,7-8,13-14,16-18H2,1-3H3,(H,27,29).
What are the key properties of N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110233032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).