4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide

C28H29N3O4 — CID 90459667

IUPAC4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C28H29N3O4/c1-34-26-14-9-21(15-25(26)30-27(32)18-31-16-23-12-13-24(17-31)35-23)28(33)29-22-10-7-20(8-11-22)19-5-3-2-4-6-19/h2-11,14-15,23-24H,12-13,16-18H2,1H3,(H,29,33)(H,30,32)
InChIKeyCAELNQBNQXDXBW-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.42
Rot. Bonds7

About 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide

4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide (PubChem CID 90459667) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide
PubChem CID90459667
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C28H29N3O4/c1-34-26-14-9-21(15-25(26)30-27(32)18-31-16-23-12-13-24(17-31)35-23)28(33)29-22-10-7-20(8-11-22)19-5-3-2-4-6-19/h2-11,14-15,23-24H,12-13,16-18H2,1H3,(H,29,33)(H,30,32)
InChIKeyCAELNQBNQXDXBW-UHFFFAOYSA-N
XLogP4.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide with MolForge

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Related Compounds

N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 161110649
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
CID 90459234
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86299107
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335
tert-butyl-[4-[4-[[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]carbamoyl]phenyl]phenyl]carbamic acid
CID 118877629
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-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 37013397

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide?
The IUPAC name of 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide (CID 90459667) is 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CC2CCC(C1)O2.
What is the InChIKey of 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide?
The InChIKey is CAELNQBNQXDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-34-26-14-9-21(15-25(26)30-27(32)18-31-16-23-12-13-24(17-31)35-23)28(33)29-22-10-7-20(8-11-22)19-5-3-2-4-6-19/h2-11,14-15,23-24H,12-13,16-18H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide?
4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide has a molecular weight of 471.56 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 90459667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).