N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide

C27H32N2O3 — CID 52933099

IUPACN-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1ccc(CCN(C(=O)c2cccc(C)c2)C(C)CCc2ccccc2)nc1OC
InChIInChI=1S/C27H32N2O3/c1-20-9-8-12-23(19-20)27(30)29(21(2)13-14-22-10-6-5-7-11-22)18-17-24-15-16-25(31-3)26(28-24)32-4/h5-12,15-16,19,21H,13-14,17-18H2,1-4H3
InChIKeyXPYIWSWAHFCUEG-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.11
Rot. Bonds10

About N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide

N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 52933099) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide
PubChem CID52933099
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC NameN-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1ccc(CCN(C(=O)c2cccc(C)c2)C(C)CCc2ccccc2)nc1OC
InChIInChI=1S/C27H32N2O3/c1-20-9-8-12-23(19-20)27(30)29(21(2)13-14-22-10-6-5-7-11-22)18-17-24-15-16-25(31-3)26(28-24)32-4/h5-12,15-16,19,21H,13-14,17-18H2,1-4H3
InChIKeyXPYIWSWAHFCUEG-UHFFFAOYSA-N
XLogP5.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide (CID 52933099) is N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide is COc1ccc(CCN(C(=O)c2cccc(C)c2)C(C)CCc2ccccc2)nc1OC.
What is the InChIKey of N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is XPYIWSWAHFCUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-20-9-8-12-23(19-20)27(30)29(21(2)13-14-22-10-6-5-7-11-22)18-17-24-15-16-25(31-3)26(28-24)32-4/h5-12,15-16,19,21H,13-14,17-18H2,1-4H3.
What are the key properties of N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide?
N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 432.56 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-3-methyl-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 52933099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).