N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide

C21H25NO4 — CID 55605765

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CCC3CCCO3)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-2-24-18-9-11-20(12-10-18)26-19-7-5-16(6-8-19)22-21(23)14-13-17-4-3-15-25-17/h5-12,17H,2-4,13-15H2,1H3,(H,22,23)
InChIKeyJBEDRWVZLCKBJW-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.78
Rot. Bonds8

About N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide

N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide (PubChem CID 55605765) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
PubChem CID55605765
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)CCC3CCCO3)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-2-24-18-9-11-20(12-10-18)26-19-7-5-16(6-8-19)22-21(23)14-13-17-4-3-15-25-17/h5-12,17H,2-4,13-15H2,1H3,(H,22,23)
InChIKeyJBEDRWVZLCKBJW-UHFFFAOYSA-N
XLogP4.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719612
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
4-[[2-(4-ethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54811294
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910402
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131890314
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 114299310

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide (CID 55605765) is N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide is CCOc1ccc(Oc2ccc(NC(=O)CCC3CCCO3)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is JBEDRWVZLCKBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-2-24-18-9-11-20(12-10-18)26-19-7-5-16(6-8-19)22-21(23)14-13-17-4-3-15-25-17/h5-12,17H,2-4,13-15H2,1H3,(H,22,23).
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide?
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 355.43 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 55605765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).