N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide

C26H29N3O3 — CID 166208920

IUPACN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1ccccc1Oc1ccccc1C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H29N3O3/c1-19(2)21-7-3-5-9-23(21)32-24-10-6-4-8-22(24)26(30)28-18-20-11-12-25(27-17-20)29-13-15-31-16-14-29/h3-12,17,19H,13-16,18H2,1-2H3,(H,28,30)
InChIKeyDOCSXZWLBCTVMZ-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.76
Rot. Bonds7

About N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide (PubChem CID 166208920) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide
PubChem CID166208920
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1ccccc1Oc1ccccc1C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H29N3O3/c1-19(2)21-7-3-5-9-23(21)32-24-10-6-4-8-22(24)26(30)28-18-20-11-12-25(27-17-20)29-13-15-31-16-14-29/h3-12,17,19H,13-16,18H2,1-2H3,(H,28,30)
InChIKeyDOCSXZWLBCTVMZ-UHFFFAOYSA-N
XLogP4.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide?
The IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide (CID 166208920) is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide.
What is the SMILES notation for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide?
The canonical SMILES for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide is CC(C)c1ccccc1Oc1ccccc1C(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide?
The InChIKey is DOCSXZWLBCTVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19(2)21-7-3-5-9-23(21)32-24-10-6-4-8-22(24)26(30)28-18-20-11-12-25(27-17-20)29-13-15-31-16-14-29/h3-12,17,19H,13-16,18H2,1-2H3,(H,28,30).
What are the key properties of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide?
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(2-propan-2-ylphenoxy)benzamide is sourced from PubChem (CID 166208920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).