N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C22H26N2O5 — CID 46425090

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCCOc1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1OC
InChIInChI=1S/C22H26N2O5/c1-3-13-28-19-11-10-16(14-20(19)27-2)15-23-21(25)9-6-12-24-17-7-4-5-8-18(17)29-22(24)26/h4-5,7-8,10-11,14H,3,6,9,12-13,15H2,1-2H3,(H,23,25)
InChIKeyQBPNAJBECIYBRP-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.49
Rot. Bonds10

About N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 46425090) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID46425090
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCCOc1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1OC
InChIInChI=1S/C22H26N2O5/c1-3-13-28-19-11-10-16(14-20(19)27-2)15-23-21(25)9-6-12-24-17-7-4-5-8-18(17)29-22(24)26/h4-5,7-8,10-11,14H,3,6,9,12-13,15H2,1-2H3,(H,23,25)
InChIKeyQBPNAJBECIYBRP-UHFFFAOYSA-N
XLogP3.49
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 39971590
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55747220
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9269118
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51201343
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46454589
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24514497
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55817540
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
methyl 6-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]hexanoate
CID 9221034
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18159649
2-(2-methoxyphenoxy)-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786884
4-methoxy-N-[2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]ethyl]benzamide
CID 55879575

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 46425090) is N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CCCOc1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is QBPNAJBECIYBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-13-28-19-11-10-16(14-20(19)27-2)15-23-21(25)9-6-12-24-17-7-4-5-8-18(17)29-22(24)26/h4-5,7-8,10-11,14H,3,6,9,12-13,15H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 398.46 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 46425090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).