N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide

C33H36N2O3 — CID 10229237

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)CCCCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C33H36N2O3/c1-37-32-24-29(19-20-31(32)38-26-28-15-6-3-7-16-28)25-35(23-21-30-17-10-11-22-34-30)33(36)18-9-8-14-27-12-4-2-5-13-27/h2-7,10-13,15-17,19-20,22,24H,8-9,14,18,21,23,25-26H2,1H3
InChIKeyJWLZIHLAMJDONF-UHFFFAOYSA-N
MW508.66 g/mol
LogP6.65
Rot. Bonds14

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide (PubChem CID 10229237) has the molecular formula C33H36N2O3 and a molecular weight of 508.66 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
PubChem CID10229237
Molecular FormulaC33H36N2O3
Molecular Weight508.66 g/mol
Exact Mass508.27
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)CCCCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C33H36N2O3/c1-37-32-24-29(19-20-31(32)38-26-28-15-6-3-7-16-28)25-35(23-21-30-17-10-11-22-34-30)33(36)18-9-8-14-27-12-4-2-5-13-27/h2-7,10-13,15-17,19-20,22,24H,8-9,14,18,21,23,25-26H2,1H3
InChIKeyJWLZIHLAMJDONF-UHFFFAOYSA-N
XLogP6.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 23635314
CID 23635314
CID 3280
CID 3280
CID 5702159
CID 5702159
CID 10052707
CID 10052707
CID 24896566
CID 24896566
CID 25237316
CID 25237316
CID 3238697
CID 3238697
CID 71453524
CID 71453524
CID 10100640
CID 10100640
CID 10394507
CID 10394507
CID 10894187
CID 10894187
CID 10992513
CID 10992513

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide (CID 10229237) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide is COc1cc(CN(CCc2ccccn2)C(=O)CCCCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide?
The InChIKey is JWLZIHLAMJDONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O3/c1-37-32-24-29(19-20-31(32)38-26-28-15-6-3-7-16-28)25-35(23-21-30-17-10-11-22-34-30)33(36)18-9-8-14-27-12-4-2-5-13-27/h2-7,10-13,15-17,19-20,22,24H,8-9,14,18,21,23,25-26H2,1H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide has a molecular weight of 508.66 g/mol, XLogP of 6.65, 14 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]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide is sourced from PubChem (CID 10229237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).