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

C23H28N2O5 — CID 39971590

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCCCOc1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1OC
InChIInChI=1S/C23H28N2O5/c1-3-4-14-29-20-12-11-17(15-21(20)28-2)16-24-22(26)10-7-13-25-18-8-5-6-9-19(18)30-23(25)27/h5-6,8-9,11-12,15H,3-4,7,10,13-14,16H2,1-2H3,(H,24,26)
InChIKeyDVPBWDBVVZLWNJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.88
Rot. Bonds11

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

N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 39971590) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID39971590
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCCCOc1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1OC
InChIInChI=1S/C23H28N2O5/c1-3-4-14-29-20-12-11-17(15-21(20)28-2)16-24-22(26)10-7-13-25-18-8-5-6-9-19(18)30-23(25)27/h5-6,8-9,11-12,15H,3-4,7,10,13-14,16H2,1-2H3,(H,24,26)
InChIKeyDVPBWDBVVZLWNJ-UHFFFAOYSA-N
XLogP3.88
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46425090
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-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24514497
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
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 39971238
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55817540
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-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 39971590) is N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CCCCOc1ccc(CNC(=O)CCCn2c(=O)oc3ccccc32)cc1OC.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is DVPBWDBVVZLWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-3-4-14-29-20-12-11-17(15-21(20)28-2)16-24-22(26)10-7-13-25-18-8-5-6-9-19(18)30-23(25)27/h5-6,8-9,11-12,15H,3-4,7,10,13-14,16H2,1-2H3,(H,24,26).
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 412.49 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 39971590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).