N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide

C19H21NO4 — CID 17340476

IUPACN-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-12-23-17-8-4-15(5-9-17)19(21)20-16-6-10-18(11-7-16)24-14-13-22-2/h3-11H,1,12-14H2,2H3,(H,20,21)
InChIKeyUJXOHGFINUHDGI-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.53
Rot. Bonds9

About N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide

N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide (PubChem CID 17340476) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
PubChem CID17340476
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-3-12-23-17-8-4-15(5-9-17)19(21)20-16-6-10-18(11-7-16)24-14-13-22-2/h3-11H,1,12-14H2,2H3,(H,20,21)
InChIKeyUJXOHGFINUHDGI-UHFFFAOYSA-N
XLogP3.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
methyl 3-[(4-prop-2-enoxyphenyl)carbamoyl]benzoate
CID 17175313
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952478

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide (CID 17340476) is N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc(OCCOC)cc2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide?
The InChIKey is UJXOHGFINUHDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-12-23-17-8-4-15(5-9-17)19(21)20-16-6-10-18(11-7-16)24-14-13-22-2/h3-11H,1,12-14H2,2H3,(H,20,21).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide?
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 17340476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).