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

C22H26N2O5 — CID 51201343

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C22H26N2O5/c1-4-23(15-16-11-12-19(27-2)20(14-16)28-3)21(25)10-7-13-24-17-8-5-6-9-18(17)29-22(24)26/h5-6,8-9,11-12,14H,4,7,10,13,15H2,1-3H3
InChIKeyHOXCPXQOFFTONQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.44
Rot. Bonds9

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

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 51201343) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID51201343
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CCCn1c(=O)oc2ccccc21
InChIInChI=1S/C22H26N2O5/c1-4-23(15-16-11-12-19(27-2)20(14-16)28-3)21(25)10-7-13-24-17-8-5-6-9-18(17)29-22(24)26/h5-6,8-9,11-12,14H,4,7,10,13,15H2,1-3H3
InChIKeyHOXCPXQOFFTONQ-UHFFFAOYSA-N
XLogP3.44
TPSA73.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31339075
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32755093
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46425090
N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 39971590
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18113379
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081180
methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate
CID 87020691
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55560577
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 48730152
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272719

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 51201343) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCCn1c(=O)oc2ccccc21.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is HOXCPXQOFFTONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-23(15-16-11-12-19(27-2)20(14-16)28-3)21(25)10-7-13-24-17-8-5-6-9-18(17)29-22(24)26/h5-6,8-9,11-12,14H,4,7,10,13,15H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 398.46 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 51201343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).