N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide

C22H22N2O3 — CID 53321009

IUPACN-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C22H22N2O3/c1-16(21-13-12-20(26-2)15-23-21)24-22(25)14-17-8-10-19(11-9-17)27-18-6-4-3-5-7-18/h3-13,15-16H,14H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeySLGOSMKNDUJEQP-MRXNPFEDSA-N
MW362.43 g/mol
LogP4.30
Rot. Bonds7

About N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide

N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide (PubChem CID 53321009) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide
PubChem CID53321009
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C22H22N2O3/c1-16(21-13-12-20(26-2)15-23-21)24-22(25)14-17-8-10-19(11-9-17)27-18-6-4-3-5-7-18/h3-13,15-16H,14H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeySLGOSMKNDUJEQP-MRXNPFEDSA-N
XLogP4.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide?
The IUPAC name of N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide (CID 53321009) is N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide?
The canonical SMILES for N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide is COc1ccc([C@@H](C)NC(=O)Cc2ccc(Oc3ccccc3)cc2)nc1.
What is the InChIKey of N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide?
The InChIKey is SLGOSMKNDUJEQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16(21-13-12-20(26-2)15-23-21)24-22(25)14-17-8-10-19(11-9-17)27-18-6-4-3-5-7-18/h3-13,15-16H,14H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide?
N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 53321009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).