N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide

C29H30N2O4 — CID 161110649

IUPACN-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCOc1ccc(C(=O)Cc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C29H30N2O4/c1-34-28-14-11-23(16-26(28)30-29(33)19-31-17-24-12-13-25(18-31)35-24)27(32)15-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-11,14,16,24-25H,12-13,15,17-19H2,1H3,(H,30,33)
InChIKeyUJQLUJQGWKPVIC-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.59
Rot. Bonds8

About N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide

N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 161110649) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID161110649
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC NameN-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCOc1ccc(C(=O)Cc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C29H30N2O4/c1-34-28-14-11-23(16-26(28)30-29(33)19-31-17-24-12-13-25(18-31)35-24)27(32)15-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-11,14,16,24-25H,12-13,15,17-19H2,1H3,(H,30,33)
InChIKeyUJQLUJQGWKPVIC-UHFFFAOYSA-N
XLogP4.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide
CID 90459667
N-[2-(3-methoxypropoxy)-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylacetamide
CID 161191064
N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide
CID 162074516
N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 148797037
N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031
N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66393018
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
2-morpholin-4-yl-N-[5-[2-(4-pyrimidin-5-ylphenyl)acetyl]-2-(trifluoromethoxy)phenyl]acetamide
CID 160927857
2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605
2-[1-[2-(2-methoxyanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617921
N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide
CID 148520683
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 120760615

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 161110649) is N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide is COc1ccc(C(=O)Cc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CC2CCC(C1)O2.
What is the InChIKey of N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is UJQLUJQGWKPVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-34-28-14-11-23(16-26(28)30-29(33)19-31-17-24-12-13-25(18-31)35-24)27(32)15-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-11,14,16,24-25H,12-13,15,17-19H2,1H3,(H,30,33).
What are the key properties of N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 470.57 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 161110649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).