2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate

C33H36N4O5 — CID 69440674

IUPAC2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)OCCN5CCOCC5)c4)cc3c2)c1
InChIInChI=1S/C33H36N4O5/c1-33(2,3)26-5-4-6-27(21-26)35-31(38)24-8-7-23-9-10-28(20-25(23)19-24)42-29-11-12-34-30(22-29)36-32(39)41-18-15-37-13-16-40-17-14-37/h4-12,19-22H,13-18H2,1-3H3,(H,35,38)(H,34,36,39)
InChIKeyIVOXUIMFVJGAPS-UHFFFAOYSA-N
MW568.67 g/mol
LogP6.46
Rot. Bonds8

About 2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate

2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate (PubChem CID 69440674) has the molecular formula C33H36N4O5 and a molecular weight of 568.67 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
PubChem CID69440674
Molecular FormulaC33H36N4O5
Molecular Weight568.67 g/mol
Exact Mass568.27
IUPAC Name2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)OCCN5CCOCC5)c4)cc3c2)c1
InChIInChI=1S/C33H36N4O5/c1-33(2,3)26-5-4-6-27(21-26)35-31(38)24-8-7-23-9-10-28(20-25(23)19-24)42-29-11-12-34-30(22-29)36-32(39)41-18-15-37-13-16-40-17-14-37/h4-12,19-22H,13-18H2,1-3H3,(H,35,38)(H,34,36,39)
InChIKeyIVOXUIMFVJGAPS-UHFFFAOYSA-N
XLogP6.46
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate?
The IUPAC name of 2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate (CID 69440674) is 2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate.
What is the SMILES notation for 2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate?
The canonical SMILES for 2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate is CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)OCCN5CCOCC5)c4)cc3c2)c1.
What is the InChIKey of 2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate?
The InChIKey is IVOXUIMFVJGAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O5/c1-33(2,3)26-5-4-6-27(21-26)35-31(38)24-8-7-23-9-10-28(20-25(23)19-24)42-29-11-12-34-30(22-29)36-32(39)41-18-15-37-13-16-40-17-14-37/h4-12,19-22H,13-18H2,1-3H3,(H,35,38)(H,34,36,39).
What are the key properties of 2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate?
2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate has a molecular weight of 568.67 g/mol, XLogP of 6.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate is sourced from PubChem (CID 69440674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).