4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide

C19H21NO2 — CID 17177445

IUPAC4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-4-13-22-18-11-9-17(10-12-18)20-19(21)16-7-5-15(6-8-16)14(2)3/h4-12,14H,1,13H2,2-3H3,(H,20,21)
InChIKeyRHGRRWMKGIELOL-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.63
Rot. Bonds6

About 4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide

4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide (PubChem CID 17177445) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
PubChem CID17177445
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-4-13-22-18-11-9-17(10-12-18)20-19(21)16-7-5-15(6-8-16)14(2)3/h4-12,14H,1,13H2,2-3H3,(H,20,21)
InChIKeyRHGRRWMKGIELOL-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
4-propan-2-yl-N-(4-propoxyphenyl)benzamide
CID 17177442
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-propan-2-ylbenzamide
CID 32943301
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
4-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)benzamide
CID 16651154
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide (CID 17177445) is 4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide is C=CCOc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide?
The InChIKey is RHGRRWMKGIELOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-13-22-18-11-9-17(10-12-18)20-19(21)16-7-5-15(6-8-16)14(2)3/h4-12,14H,1,13H2,2-3H3,(H,20,21).
What are the key properties of 4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide?
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide has a molecular weight of 295.38 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 17177445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).