N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide

C33H36N2O3 — CID 11756002

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)CCC(C)c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C33H36N2O3/c1-26(29-13-7-4-8-14-29)16-19-33(36)35(22-20-30-15-9-10-21-34-30)24-28-17-18-31(32(23-28)37-2)38-25-27-11-5-3-6-12-27/h3-15,17-18,21,23,26H,16,19-20,22,24-25H2,1-2H3
InChIKeyCUZHJFRQOSBMFW-UHFFFAOYSA-N
MW508.66 g/mol
LogP6.82
Rot. Bonds13

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide (PubChem CID 11756002) has the molecular formula C33H36N2O3 and a molecular weight of 508.66 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
PubChem CID11756002
Molecular FormulaC33H36N2O3
Molecular Weight508.66 g/mol
Exact Mass508.27
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)CCC(C)c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C33H36N2O3/c1-26(29-13-7-4-8-14-29)16-19-33(36)35(22-20-30-15-9-10-21-34-30)24-28-17-18-31(32(23-28)37-2)38-25-27-11-5-3-6-12-27/h3-15,17-18,21,23,26H,16,19-20,22,24-25H2,1-2H3
InChIKeyCUZHJFRQOSBMFW-UHFFFAOYSA-N
XLogP6.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide with MolForge

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Related Compounds

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CID 10052707
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methyl 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
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CID 10992513
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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide (CID 11756002) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide is COc1cc(CN(CCc2ccccn2)C(=O)CCC(C)c2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide?
The InChIKey is CUZHJFRQOSBMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O3/c1-26(29-13-7-4-8-14-29)16-19-33(36)35(22-20-30-15-9-10-21-34-30)24-28-17-18-31(32(23-28)37-2)38-25-27-11-5-3-6-12-27/h3-15,17-18,21,23,26H,16,19-20,22,24-25H2,1-2H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide has a molecular weight of 508.66 g/mol, XLogP of 6.82, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide is sourced from PubChem (CID 11756002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).